N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide

C14H16N2O2 — CID 79207031

IUPACN-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C14H16N2O2/c1-9(17)10-3-2-4-13(8-10)16-14(18)11-5-6-12(15)7-11/h2-6,8,11-12H,7,15H2,1H3,(H,16,18)
InChIKeyAZFMBMKTXZPHAN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.73
Rot. Bonds3

About N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide

N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide (PubChem CID 79207031) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
PubChem CID79207031
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C14H16N2O2/c1-9(17)10-3-2-4-13(8-10)16-14(18)11-5-6-12(15)7-11/h2-6,8,11-12H,7,15H2,1H3,(H,16,18)
InChIKeyAZFMBMKTXZPHAN-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.73
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

ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211271
4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210859
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209042
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
CID 79211253
4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210585
4-amino-N-(1,3-benzodioxol-5-yl)cyclopent-2-ene-1-carboxamide
CID 79210516
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide (CID 79207031) is N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide is CC(=O)c1cccc(NC(=O)C2C=CC(N)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide?
The InChIKey is AZFMBMKTXZPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(17)10-3-2-4-13(8-10)16-14(18)11-5-6-12(15)7-11/h2-6,8,11-12H,7,15H2,1H3,(H,16,18).
What are the key properties of N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide?
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).