1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide

C18H25N3O3 — CID 95987819

IUPAC1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide
SMILESCC(=O)N[C@@H](C)C(=O)NC1(C(=O)Nc2ccccc2C)CCCC1
InChIInChI=1S/C18H25N3O3/c1-12-8-4-5-9-15(12)20-17(24)18(10-6-7-11-18)21-16(23)13(2)19-14(3)22/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyKSIUMLWCIDZRKD-ZDUSSCGKSA-N
MW331.42 g/mol
LogP1.89
Rot. Bonds5

About 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide

1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 95987819) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide
PubChem CID95987819
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide
SMILESCC(=O)N[C@@H](C)C(=O)NC1(C(=O)Nc2ccccc2C)CCCC1
InChIInChI=1S/C18H25N3O3/c1-12-8-4-5-9-15(12)20-17(24)18(10-6-7-11-18)21-16(23)13(2)19-14(3)22/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyKSIUMLWCIDZRKD-ZDUSSCGKSA-N
XLogP1.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide (CID 95987819) is 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide is CC(=O)N[C@@H](C)C(=O)NC1(C(=O)Nc2ccccc2C)CCCC1.
What is the InChIKey of 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is KSIUMLWCIDZRKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-8-4-5-9-15(12)20-17(24)18(10-6-7-11-18)21-16(23)13(2)19-14(3)22/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t13-/m0/s1.
What are the key properties of 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide?
1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-acetamidopropanoyl]amino]-N-(2-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 95987819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).