4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide

C30H27N3O3 — CID 46537045

IUPAC4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H27N3O3/c1-21(25-14-9-15-27(20-25)32-29(35)23-12-7-4-8-13-23)33(2)30(36)24-16-18-26(19-17-24)31-28(34)22-10-5-3-6-11-22/h3-21H,1-2H3,(H,31,34)(H,32,35)
InChIKeyIFDBUNUXHMYWBN-UHFFFAOYSA-N
MW477.56 g/mol
LogP6.02
Rot. Bonds7

About 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide

4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide (PubChem CID 46537045) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
PubChem CID46537045
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H27N3O3/c1-21(25-14-9-15-27(20-25)32-29(35)23-12-7-4-8-13-23)33(2)30(36)24-16-18-26(19-17-24)31-28(34)22-10-5-3-6-11-22/h3-21H,1-2H3,(H,31,34)(H,32,35)
InChIKeyIFDBUNUXHMYWBN-UHFFFAOYSA-N
XLogP6.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 46514714
N-[(1R)-1-(3-benzamidophenyl)ethyl]-3-methoxy-N,4-dimethylbenzamide
CID 31870263
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 31869991
tert-butyl N-[3-[1-(3-benzamidophenyl)ethyl-methylcarbamoyl]phenyl]carbamate
CID 46533494
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
N-[(1R)-1-(3-benzamidophenyl)ethyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 31870185
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
4-benzamido-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 42953411
N-[3-[(1R)-1-[cyclopentylmethylcarbamoyl(methyl)amino]ethyl]phenyl]benzamide
CID 94122244
N-[3-[1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-methylamino]ethyl]phenyl]benzamide
CID 46533575
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
CID 60571084
N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
CID 46537955

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide (CID 46537045) is 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide is CC(c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide?
The InChIKey is IFDBUNUXHMYWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-21(25-14-9-15-27(20-25)32-29(35)23-12-7-4-8-13-23)33(2)30(36)24-16-18-26(19-17-24)31-28(34)22-10-5-3-6-11-22/h3-21H,1-2H3,(H,31,34)(H,32,35).
What are the key properties of 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide?
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide has a molecular weight of 477.56 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 46537045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).