[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

C23H22N3O+ — CID 9393047

IUPAC[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-17-7-11-20(12-8-17)23(19-5-3-2-4-6-19)25-16-22(27)26-21-13-9-18(15-24)10-14-21/h2-14,23,25H,16H2,1H3,(H,26,27)/p+1/t23-/m1/s1
InChIKeyFYYUTCNHVNFBAZ-HSZRJFAPSA-O
MW356.45 g/mol
LogP3.16
Rot. Bonds6

About [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium

[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 9393047) has the molecular formula C23H22N3O+ and a molecular weight of 356.45 g/mol. Its IUPAC name is [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID9393047
Molecular FormulaC23H22N3O+
Molecular Weight356.45 g/mol
Exact Mass356.18
IUPAC Name[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-17-7-11-20(12-8-17)23(19-5-3-2-4-6-19)25-16-22(27)26-21-13-9-18(15-24)10-14-21/h2-14,23,25H,16H2,1H3,(H,26,27)/p+1/t23-/m1/s1
InChIKeyFYYUTCNHVNFBAZ-HSZRJFAPSA-O
XLogP3.16
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(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

[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392775
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392634
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392111
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641344
[2-(3-acetylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392545
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9392931
benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
CID 2443760
[(R)-(4-methylphenyl)-phenylmethyl]-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8641390
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
CID 142563467
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393426
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391603

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium (CID 9393047) is [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is FYYUTCNHVNFBAZ-HSZRJFAPSA-O. The full InChI is InChI=1S/C23H21N3O/c1-17-7-11-20(12-8-17)23(19-5-3-2-4-6-19)25-16-22(27)26-21-13-9-18(15-24)10-14-21/h2-14,23,25H,16H2,1H3,(H,26,27)/p+1/t23-/m1/s1.
What are the key properties of [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium?
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 356.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 9393047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).