3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide

C30H28N4O3 — CID 54840259

IUPAC3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCC(=O)Nc3cccc(C(=O)N(C)c4ccccc4)c3)cc2)c1
InChIInChI=1S/C30H28N4O3/c1-21-8-6-9-22(18-21)29(36)33-25-16-14-24(15-17-25)31-20-28(35)32-26-11-7-10-23(19-26)30(37)34(2)27-12-4-3-5-13-27/h3-19,31H,20H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyPUJAAJBEPDWDDE-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.57
Rot. Bonds8

About 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide

3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 54840259) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
PubChem CID54840259
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCC(=O)Nc3cccc(C(=O)N(C)c4ccccc4)c3)cc2)c1
InChIInChI=1S/C30H28N4O3/c1-21-8-6-9-22(18-21)29(36)33-25-16-14-24(15-17-25)31-20-28(35)32-26-11-7-10-23(19-26)30(37)34(2)27-12-4-3-5-13-27/h3-19,31H,20H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyPUJAAJBEPDWDDE-UHFFFAOYSA-N
XLogP5.57
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
N-(2-methoxyethyl)-3-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54838787
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54818547
N-methyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837413
N-methyl-3-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54837466
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54837059
3-[[2-(ethylamino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54820939
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54816099

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide (CID 54840259) is 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(NCC(=O)Nc3cccc(C(=O)N(C)c4ccccc4)c3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is PUJAAJBEPDWDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-21-8-6-9-22(18-21)29(36)33-25-16-14-24(15-17-25)31-20-28(35)32-26-11-7-10-23(19-26)30(37)34(2)27-12-4-3-5-13-27/h3-19,31H,20H2,1-2H3,(H,32,35)(H,33,36).
What are the key properties of 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide?
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 492.58 g/mol, XLogP of 5.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54840259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).