2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid

C17H23NO3 — CID 103978215

IUPAC2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(NC(=O)C1CCCC1C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H23NO3/c1-3-15(12-9-7-11(2)8-10-12)18-16(19)13-5-4-6-14(13)17(20)21/h7-10,13-15H,3-6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRMNYRESBFSOLQT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.06
Rot. Bonds5

About 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid

2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978215) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978215
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(NC(=O)C1CCCC1C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H23NO3/c1-3-15(12-9-7-11(2)8-10-12)18-16(19)13-5-4-6-14(13)17(20)21/h7-10,13-15H,3-6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRMNYRESBFSOLQT-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 64824324
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
2-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107862038
6-(1-phenylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 17281542
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
2-(cyclopropylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 60671799

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103978215) is 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid is CCC(NC(=O)C1CCCC1C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is RMNYRESBFSOLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-15(12-9-7-11(2)8-10-12)18-16(19)13-5-4-6-14(13)17(20)21/h7-10,13-15H,3-6H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).