N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide

C17H17N3O3 — CID 815559

IUPACN-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C17H17N3O3/c1-11-4-3-5-14(10-11)17(23)20-19-16(22)13-6-8-15(9-7-13)18-12(2)21/h3-10H,1-2H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyXBYSLDKROYAGCL-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.03
Rot. Bonds3

About N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide

N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide (PubChem CID 815559) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide
PubChem CID815559
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C17H17N3O3/c1-11-4-3-5-14(10-11)17(23)20-19-16(22)13-6-8-15(9-7-13)18-12(2)21/h3-10H,1-2H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyXBYSLDKROYAGCL-UHFFFAOYSA-N
XLogP2.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide (CID 815559) is N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide?
The InChIKey is XBYSLDKROYAGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-4-3-5-14(10-11)17(23)20-19-16(22)13-6-8-15(9-7-13)18-12(2)21/h3-10H,1-2H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide?
N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 815559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).