4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide

C15H20N2O2 — CID 79210859

IUPAC4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCCCOc1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C15H20N2O2/c1-2-8-19-14-5-3-4-13(10-14)17-15(18)11-6-7-12(16)9-11/h3-7,10-12H,2,8-9,16H2,1H3,(H,17,18)
InChIKeyWRBVJQYQDBFXQM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds5

About 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210859) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210859
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCCCOc1cccc(NC(=O)C2C=CC(N)C2)c1
InChIInChI=1S/C15H20N2O2/c1-2-8-19-14-5-3-4-13(10-14)17-15(18)11-6-7-12(16)9-11/h3-7,10-12H,2,8-9,16H2,1H3,(H,17,18)
InChIKeyWRBVJQYQDBFXQM-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.32
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-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211304
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210585
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopent-2-ene-1-carboxamide
CID 79209286
2-(4-aminopiperidin-1-yl)-N-(3-propoxyphenyl)acetamide
CID 79322694
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211271

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide (CID 79210859) is 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide is CCCOc1cccc(NC(=O)C2C=CC(N)C2)c1.
What is the InChIKey of 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is WRBVJQYQDBFXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-8-19-14-5-3-4-13(10-14)17-15(18)11-6-7-12(16)9-11/h3-7,10-12H,2,8-9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).