N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide

C25H23N3O4 — CID 121062109

IUPACN-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O4/c1-17(29)26-15-16-27-24(31)19-11-13-20(14-12-19)28-25(32)22-10-6-5-9-21(22)23(30)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,29)(H,27,31)(H,28,32)
InChIKeyYHHWGVWOJHMKKH-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.04
Rot. Bonds8

About N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide

N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide (PubChem CID 121062109) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
PubChem CID121062109
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O4/c1-17(29)26-15-16-27-24(31)19-11-13-20(14-12-19)28-25(32)22-10-6-5-9-21(22)23(30)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,29)(H,27,31)(H,28,32)
InChIKeyYHHWGVWOJHMKKH-UHFFFAOYSA-N
XLogP3.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
CID 121062141
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 121062115
4-benzamido-N-ethylbenzamide
CID 17153265
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 121062107
N-[4-(2-fluorobenzoyl)phenyl]acetamide
CID 43337973
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide?
The IUPAC name of N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide (CID 121062109) is N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide.
What is the SMILES notation for N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide?
The canonical SMILES for N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide is CC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide?
The InChIKey is YHHWGVWOJHMKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17(29)26-15-16-27-24(31)19-11-13-20(14-12-19)28-25(32)22-10-6-5-9-21(22)23(30)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,29)(H,27,31)(H,28,32).
What are the key properties of N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide?
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide has a molecular weight of 429.48 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide is sourced from PubChem (CID 121062109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).