N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide

C16H20N2O2 — CID 42945795

IUPACN-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC2C=CCC2)cc1C
InChIInChI=1S/C16H20N2O2/c1-11-9-14(7-8-15(11)17-12(2)19)18-16(20)10-13-5-3-4-6-13/h3,5,7-9,13H,4,6,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQBMPBGJLZWFGHZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.25
Rot. Bonds4

About N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide

N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 42945795) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID42945795
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC2C=CCC2)cc1C
InChIInChI=1S/C16H20N2O2/c1-11-9-14(7-8-15(11)17-12(2)19)18-16(20)10-13-5-3-4-6-13/h3,5,7-9,13H,4,6,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQBMPBGJLZWFGHZ-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 52511276
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclopent-2-en-1-ylacetamide
CID 103730318
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
N-(2-bromo-4-methylphenyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 41037744
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(2-bromo-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 41037745
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
2-cyclopent-2-en-1-yl-N-[4-(diethylamino)phenyl]acetamide
CID 78809324

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide (CID 42945795) is N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide is CC(=O)Nc1ccc(NC(=O)CC2C=CCC2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is QBMPBGJLZWFGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-9-14(7-8-15(11)17-12(2)19)18-16(20)10-13-5-3-4-6-13/h3,5,7-9,13H,4,6,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide?
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 272.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 42945795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).