[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

C24H26N3O2+ — CID 8641344

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)c1
InChIInChI=1S/C24H25N3O2/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)26-16-22(28)27-21-10-6-9-20(15-21)24(29)25-2/h3-15,23,26H,16H2,1-2H3,(H,25,29)(H,27,28)/p+1/t23-/m0/s1
InChIKeyHGUMSKYLZFIXMS-QHCPKHFHSA-O
MW388.49 g/mol
LogP2.65
Rot. Bonds7

About [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 8641344) has the molecular formula C24H26N3O2+ and a molecular weight of 388.49 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID8641344
Molecular FormulaC24H26N3O2+
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)c1
InChIInChI=1S/C24H25N3O2/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)26-16-22(28)27-21-10-6-9-20(15-21)24(29)25-2/h3-15,23,26H,16H2,1-2H3,(H,25,29)(H,27,28)/p+1/t23-/m0/s1
InChIKeyHGUMSKYLZFIXMS-QHCPKHFHSA-O
XLogP2.65
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392545
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133031
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8830328
[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392775
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9392931
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8992793
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834577
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
[(1R)-1-(furan-2-yl)ethyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8922277

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (CID 8641344) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is CNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(C)cc2)c1.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is HGUMSKYLZFIXMS-QHCPKHFHSA-O. The full InChI is InChI=1S/C24H25N3O2/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)26-16-22(28)27-21-10-6-9-20(15-21)24(29)25-2/h3-15,23,26H,16H2,1-2H3,(H,25,29)(H,27,28)/p+1/t23-/m0/s1.
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 388.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 8641344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).