9CI

N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide

Created: 2021-11-17
Last modified:  2022-11-16

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count1
Bond Count65
Aromatic Bond Count12
2D diagram of 9CI

Chemical Component Summary

NameN-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide
SynonymsN-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
Systematic Name (OpenEye OEToolkits)~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide
FormulaC25 H34 N2 O2
Molecular Weight394.55
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O[CH](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(CC(=O)NCC(CNCC2CCCCC2)O)c3ccccc3
Canonical SMILESCACTVS3.385 O[C@@H](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)C(CC(=O)NC[C@H](CNCC2CCCCC2)O)c3ccccc3
InChIInChI1.06 InChI=1S/C25H34N2O2/c28-23(18-26-17-20-10-4-1-5-11-20)19-27-25(29)16-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23-24,26,28H,1,4-5,10-11,16-19H2,(H,27,29)/t23-/m0/s1
InChIKeyInChI1.06 AGQFRFDHZZBREO-QHCPKHFHSA-N

Related Resource References

Resource NameReference
PubChem 165430612