N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide

C14H18N2O2 — CID 43599907

IUPACN-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCOc1ccc(NC(=O)CC2C=CCC2)cc1N
InChIInChI=1S/C14H18N2O2/c1-18-13-7-6-11(9-12(13)15)16-14(17)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8,15H2,1H3,(H,16,17)
InChIKeyQTNIMTOKPASUNV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide

N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 43599907) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID43599907
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCOc1ccc(NC(=O)CC2C=CCC2)cc1N
InChIInChI=1S/C14H18N2O2/c1-18-13-7-6-11(9-12(13)15)16-14(17)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8,15H2,1H3,(H,16,17)
InChIKeyQTNIMTOKPASUNV-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-(2,5-dimethoxyphenyl)acetamide
CID 18196579
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9322651
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 25374190
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068771
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
CID 94820198
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
2-cyclopent-2-en-1-yl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46551111
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
N-(3-amino-4-methoxyphenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 67315900
N-(2-aminophenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51714392

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide (CID 43599907) is N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide is COc1ccc(NC(=O)CC2C=CCC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is QTNIMTOKPASUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-7-6-11(9-12(13)15)16-14(17)8-10-4-2-3-5-10/h2,4,6-7,9-10H,3,5,8,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide?
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 246.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 43599907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).