3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

C30H27N3O3 — CID 46410067

IUPAC3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C30H27N3O3/c1-21-16-17-24(20-27(21)33-28(34)23-12-6-3-7-13-23)29(35)32-26-15-9-8-14-25(26)30(36)31-19-18-22-10-4-2-5-11-22/h2-17,20H,18-19H2,1H3,(H,31,36)(H,32,35)(H,33,34)
InChIKeyRWBRCOHUIHKPDJ-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.47
Rot. Bonds8

About 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 46410067) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID46410067
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C30H27N3O3/c1-21-16-17-24(20-27(21)33-28(34)23-12-6-3-7-13-23)29(35)32-26-15-9-8-14-25(26)30(36)31-19-18-22-10-4-2-5-11-22/h2-17,20H,18-19H2,1H3,(H,31,36)(H,32,35)(H,33,34)
InChIKeyRWBRCOHUIHKPDJ-UHFFFAOYSA-N
XLogP5.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
N-[2-(4-fluorophenyl)ethyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549728
2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78799601
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047991
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
N-[2-(2-phenylethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18278681
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
N-[2-(2-phenylethylcarbamoyl)phenyl]furan-3-carboxamide
CID 18102051

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (CID 46410067) is 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is RWBRCOHUIHKPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-21-16-17-24(20-27(21)33-28(34)23-12-6-3-7-13-23)29(35)32-26-15-9-8-14-25(26)30(36)31-19-18-22-10-4-2-5-11-22/h2-17,20H,18-19H2,1H3,(H,31,36)(H,32,35)(H,33,34).
What are the key properties of 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 477.56 g/mol, XLogP of 5.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 46410067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).