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'}

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Related Compounds

4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide
CID 114996355
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopent-2-ene-1-carboxamide
CID 79209286
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211304
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066
4-amino-N-[6-(diethylamino)-3-pyridinyl]cyclopent-2-ene-1-carboxamide
CID 79211338
4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210585
4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79211350
4-amino-N-(4-methyl-3-nitrophenyl)cyclopent-2-ene-1-carboxamide
CID 79211476
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392

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).