N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide

C29H24N2O3 — CID 20598592

IUPACN-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H24N2O3/c32-27(23-11-15-25(16-12-23)28(33)30-19-21-7-3-1-4-8-21)24-13-17-26(18-14-24)29(34)31-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,33)(H,31,34)
InChIKeyXXMUEPWEQLMNQY-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.78
Rot. Bonds8

About N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide

N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide (PubChem CID 20598592) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
PubChem CID20598592
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC NameN-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H24N2O3/c32-27(23-11-15-25(16-12-23)28(33)30-19-21-7-3-1-4-8-21)24-13-17-26(18-14-24)29(34)31-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,33)(H,31,34)
InChIKeyXXMUEPWEQLMNQY-UHFFFAOYSA-N
XLogP4.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
4-(benzamidomethyl)benzoic acid
CID 10879683
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
N-benzyl-4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzamide
CID 7410516
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-benzyl-4-(propylamino)benzamide
CID 62172438
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide?
The IUPAC name of N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide (CID 20598592) is N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide.
What is the SMILES notation for N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide?
The canonical SMILES for N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide is O=C(NCc1ccccc1)c1ccc(C(=O)c2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide?
The InChIKey is XXMUEPWEQLMNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c32-27(23-11-15-25(16-12-23)28(33)30-19-21-7-3-1-4-8-21)24-13-17-26(18-14-24)29(34)31-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,33)(H,31,34).
What are the key properties of N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide?
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide is sourced from PubChem (CID 20598592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).