[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

C24H24N3O+ — CID 9392111

IUPAC[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-17-8-12-21(13-9-17)23(20-6-4-3-5-7-20)26-18(2)24(28)27-22-14-10-19(16-25)11-15-22/h3-15,18,23,26H,1-2H3,(H,27,28)/p+1/t18-,23+/m1/s1
InChIKeyNOTFBZJJWTZYQD-JPYJTQIMSA-O
MW370.48 g/mol
LogP3.55
Rot. Bonds6

About [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 9392111) has the molecular formula C24H24N3O+ and a molecular weight of 370.48 g/mol. Its IUPAC name is [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID9392111
Molecular FormulaC24H24N3O+
Molecular Weight370.48 g/mol
Exact Mass370.19
IUPAC Name[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-17-8-12-21(13-9-17)23(20-6-4-3-5-7-20)26-18(2)24(28)27-22-14-10-19(16-25)11-15-22/h3-15,18,23,26H,1-2H3,(H,27,28)/p+1/t18-,23+/m1/s1
InChIKeyNOTFBZJJWTZYQD-JPYJTQIMSA-O
XLogP3.55
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(S)-(4-methylphenyl)-phenylmethyl]-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium
CID 9391984
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047
(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
CID 9012640
[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640864
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391938
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391958
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391970
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392181
[(2S)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720414
[(2R)-1-anilino-1-oxopropan-2-yl]-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8720416

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (CID 9392111) is [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is NOTFBZJJWTZYQD-JPYJTQIMSA-O. The full InChI is InChI=1S/C24H23N3O/c1-17-8-12-21(13-9-17)23(20-6-4-3-5-7-20)26-18(2)24(28)27-22-14-10-19(16-25)11-15-22/h3-15,18,23,26H,1-2H3,(H,27,28)/p+1/t18-,23+/m1/s1.
What are the key properties of [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 370.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 9392111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).