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

C18H19N3O3 — CID 781671

IUPACN-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-3-16(22)19-15-9-7-13(8-10-15)17(23)20-21-18(24)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUIFPCJBXTXJJGK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.42
Rot. Bonds4

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

N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide (PubChem CID 781671) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
PubChem CID781671
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-3-16(22)19-15-9-7-13(8-10-15)17(23)20-21-18(24)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyUIFPCJBXTXJJGK-UHFFFAOYSA-N
XLogP2.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.42
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]propanamide?
The IUPAC name of N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide (CID 781671) is N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
The InChIKey is UIFPCJBXTXJJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-16(22)19-15-9-7-13(8-10-15)17(23)20-21-18(24)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 2.42, 4 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]propanamide is sourced from PubChem (CID 781671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).