4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide

C15H19N3O2 — CID 79211253

IUPAC4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2C=CC(N)C2)cc1
InChIInChI=1S/C15H19N3O2/c1-18(2)15(20)10-4-7-13(8-5-10)17-14(19)11-3-6-12(16)9-11/h3-8,11-12H,9,16H2,1-2H3,(H,17,19)
InChIKeyIGVOVLITJWQSIF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.23
Rot. Bonds3

About 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide

4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide (PubChem CID 79211253) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
PubChem CID79211253
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2C=CC(N)C2)cc1
InChIInChI=1S/C15H19N3O2/c1-18(2)15(20)10-4-7-13(8-5-10)17-14(19)11-3-6-12(16)9-11/h3-8,11-12H,9,16H2,1-2H3,(H,17,19)
InChIKeyIGVOVLITJWQSIF-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide (CID 79211253) is 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)C2C=CC(N)C2)cc1.
What is the InChIKey of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide?
The InChIKey is IGVOVLITJWQSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)15(20)10-4-7-13(8-5-10)17-14(19)11-3-6-12(16)9-11/h3-8,11-12H,9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide?
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 79211253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).