3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide

C18H24N2O3 — CID 111661619

IUPAC3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O3/c1-12-3-6-15(7-4-12)17(19-13(2)22)10-18(23)20-16-8-5-14(9-16)11-21/h3-8,14,16-17,21H,9-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,16+,17?/m0/s1
InChIKeyKXKLTJOCUQRQHX-NOYLFRNESA-N
MW316.40 g/mol
LogP1.62
Rot. Bonds6

About 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide (PubChem CID 111661619) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide
PubChem CID111661619
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(C)cc1
InChIInChI=1S/C18H24N2O3/c1-12-3-6-15(7-4-12)17(19-13(2)22)10-18(23)20-16-8-5-14(9-16)11-21/h3-8,14,16-17,21H,9-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,16+,17?/m0/s1
InChIKeyKXKLTJOCUQRQHX-NOYLFRNESA-N
XLogP1.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-methylphenyl)ethyl]urea
CID 111630678
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 111661460
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]butanamide
CID 111661196
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
(3R)-3-acetamido-N-[(1R)-1-cyclopropylethyl]-3-(4-methylphenyl)propanamide
CID 30796495
N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 51195347
3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576079
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
(3R)-3-acetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)propanamide
CID 32758241
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide (CID 111661619) is 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is KXKLTJOCUQRQHX-NOYLFRNESA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-3-6-15(7-4-12)17(19-13(2)22)10-18(23)20-16-8-5-14(9-16)11-21/h3-8,14,16-17,21H,9-11H2,1-2H3,(H,19,22)(H,20,23)/t14-,16+,17?/m0/s1.
What are the key properties of 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 111661619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).