N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide

C24H23N3O3 — CID 60535740

IUPACN-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-6-8-20(9-7-16)24(30)27-22-5-3-4-18(14-22)15-25-23(29)19-10-12-21(13-11-19)26-17(2)28/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyNJXHLFQVXXMJMY-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.14
Rot. Bonds6

About N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide

N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide (PubChem CID 60535740) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
PubChem CID60535740
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-6-8-20(9-7-16)24(30)27-22-5-3-4-18(14-22)15-25-23(29)19-10-12-21(13-11-19)26-17(2)28/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyNJXHLFQVXXMJMY-UHFFFAOYSA-N
XLogP4.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide
CID 167909819
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide (CID 60535740) is N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide is CC(=O)Nc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide?
The InChIKey is NJXHLFQVXXMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-6-8-20(9-7-16)24(30)27-22-5-3-4-18(14-22)15-25-23(29)19-10-12-21(13-11-19)26-17(2)28/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide?
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 60535740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).