[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium

C18H25ClN3O+ — CID 9306364

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C18H24ClN3O/c1-13(15-8-4-5-9-16(15)19)21-14(2)17(23)22-18(12-20)10-6-3-7-11-18/h4-5,8-9,13-14,21H,3,6-7,10-11H2,1-2H3,(H,22,23)/p+1/t13-,14+/m1/s1
InChIKeyQGDUYADEVIZSMV-KGLIPLIRSA-O
MW334.87 g/mol
LogP2.70
Rot. Bonds5

About [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium (PubChem CID 9306364) has the molecular formula C18H25ClN3O+ and a molecular weight of 334.87 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
PubChem CID9306364
Molecular FormulaC18H25ClN3O+
Molecular Weight334.87 g/mol
Exact Mass334.17
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C18H24ClN3O/c1-13(15-8-4-5-9-16(15)19)21-14(2)17(23)22-18(12-20)10-6-3-7-11-18/h4-5,8-9,13-14,21H,3,6-7,10-11H2,1-2H3,(H,22,23)/p+1/t13-,14+/m1/s1
InChIKeyQGDUYADEVIZSMV-KGLIPLIRSA-O
XLogP2.70
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
CID 9334887
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392181
[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 9410215
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
CID 18078808
N-(1-cyanocyclohexyl)-2,2-diphenylacetamide
CID 78830716
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
(2S)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide
CID 41101622
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
(2S)-2-[(4-chlorophenyl)methylsulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 8544965
1-[(2-chlorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79137313
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 42051645
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium (CID 9306364) is [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium is C[C@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium?
The InChIKey is QGDUYADEVIZSMV-KGLIPLIRSA-O. The full InChI is InChI=1S/C18H24ClN3O/c1-13(15-8-4-5-9-16(15)19)21-14(2)17(23)22-18(12-20)10-6-3-7-11-18/h4-5,8-9,13-14,21H,3,6-7,10-11H2,1-2H3,(H,22,23)/p+1/t13-,14+/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium has a molecular weight of 334.87 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9306364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).