4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide

C14H18N2O3 — CID 79210585

IUPAC4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1cc(NC(=O)C2C=CC(N)C2)cc(OC)c1
InChIInChI=1S/C14H18N2O3/c1-18-12-6-11(7-13(8-12)19-2)16-14(17)9-3-4-10(15)5-9/h3-4,6-10H,5,15H2,1-2H3,(H,16,17)
InChIKeyNQGORHLBYPMPLG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.55
Rot. Bonds4

About 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210585) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210585
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide
SMILESCOc1cc(NC(=O)C2C=CC(N)C2)cc(OC)c1
InChIInChI=1S/C14H18N2O3/c1-18-12-6-11(7-13(8-12)19-2)16-14(17)9-3-4-10(15)5-9/h3-4,6-10H,5,15H2,1-2H3,(H,16,17)
InChIKeyNQGORHLBYPMPLG-UHFFFAOYSA-N
XLogP1.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 114263126
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-5-methoxybenzoic acid
CID 115411484
4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211303
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211304
4-amino-N-(3-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210859
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270376
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 116699756

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide (CID 79210585) is 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide is COc1cc(NC(=O)C2C=CC(N)C2)cc(OC)c1.
What is the InChIKey of 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is NQGORHLBYPMPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-12-6-11(7-13(8-12)19-2)16-14(17)9-3-4-10(15)5-9/h3-4,6-10H,5,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethoxyphenyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).