[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

C24H30N3O+ — CID 9392181

IUPAC[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H29N3O/c1-18-11-13-21(14-12-18)22(20-9-5-3-6-10-20)26-19(2)23(28)27-24(17-25)15-7-4-8-16-24/h3,5-6,9-14,19,22,26H,4,7-8,15-16H2,1-2H3,(H,27,28)/p+1/t19-,22-/m1/s1
InChIKeyGXPXQXRPLXAOAJ-DENIHFKCSA-O
MW376.52 g/mol
LogP3.38
Rot. Bonds6

About [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 9392181) has the molecular formula C24H30N3O+ and a molecular weight of 376.52 g/mol. Its IUPAC name is [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID9392181
Molecular FormulaC24H30N3O+
Molecular Weight376.52 g/mol
Exact Mass376.24
IUPAC Name[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H29N3O/c1-18-11-13-21(14-12-18)22(20-9-5-3-6-10-20)26-19(2)23(28)27-24(17-25)15-7-4-8-16-24/h3,5-6,9-14,19,22,26H,4,7-8,15-16H2,1-2H3,(H,27,28)/p+1/t19-,22-/m1/s1
InChIKeyGXPXQXRPLXAOAJ-DENIHFKCSA-O
XLogP3.38
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium with MolForge

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Related Compounds

N-(1-cyanocyclohexyl)-2,2-diphenylacetamide
CID 78830716
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
CID 9334887
[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium
CID 9306364
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640864
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392111
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391958
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391970
N-(1-cyanocyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532258
1-(1-cyanocycloheptyl)-3-(4-methylphenyl)urea
CID 61125014
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (CID 9392181) is [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)c2ccccc2)cc1.
What is the InChIKey of [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is GXPXQXRPLXAOAJ-DENIHFKCSA-O. The full InChI is InChI=1S/C24H29N3O/c1-18-11-13-21(14-12-18)22(20-9-5-3-6-10-20)26-19(2)23(28)27-24(17-25)15-7-4-8-16-24/h3,5-6,9-14,19,22,26H,4,7-8,15-16H2,1-2H3,(H,27,28)/p+1/t19-,22-/m1/s1.
What are the key properties of [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 376.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 9392181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).