4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

C31H30N4O3 — CID 54838229

IUPAC4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C31H30N4O3/c1-22(23-9-5-3-6-10-23)33-30(37)24-13-19-27(20-14-24)34-29(36)21-32-26-17-15-25(16-18-26)31(38)35(2)28-11-7-4-8-12-28/h3-20,22,32H,21H2,1-2H3,(H,33,37)(H,34,36)
InChIKeyUURMOPOOICUHQQ-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.50
Rot. Bonds9

About 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54838229) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54838229
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC Name4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C31H30N4O3/c1-22(23-9-5-3-6-10-23)33-30(37)24-13-19-27(20-14-24)34-29(36)21-32-26-17-15-25(16-18-26)31(38)35(2)28-11-7-4-8-12-28/h3-20,22,32H,21H2,1-2H3,(H,33,37)(H,34,36)
InChIKeyUURMOPOOICUHQQ-UHFFFAOYSA-N
XLogP5.50
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
N-methyl-4-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-phenylbenzamide
CID 54833224
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54811009
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842173
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54838229) is 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is UURMOPOOICUHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3/c1-22(23-9-5-3-6-10-23)33-30(37)24-13-19-27(20-14-24)34-29(36)21-32-26-17-15-25(16-18-26)31(38)35(2)28-11-7-4-8-12-28/h3-20,22,32H,21H2,1-2H3,(H,33,37)(H,34,36).
What are the key properties of 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 506.61 g/mol, XLogP of 5.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54838229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).