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

C16H21NO4 — CID 103978084

IUPAC2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCOc1cc(C)ccc1NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-3-21-14-9-10(2)7-8-13(14)17-15(18)11-5-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGSDTZUGOBQTDPT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.83
Rot. Bonds5

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

2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978084) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978084
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCOc1cc(C)ccc1NC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-3-21-14-9-10(2)7-8-13(14)17-15(18)11-5-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGSDTZUGOBQTDPT-UHFFFAOYSA-N
XLogP2.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid 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

2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687855
2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60934556
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
2-hydroxy-N-(2-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 110015372
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939
(1S,6S)-6-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184908
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
2-[(2-ethoxy-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975949
(1S,6S)-6-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184974

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978084) is 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is CCOc1cc(C)ccc1NC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is GSDTZUGOBQTDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-21-14-9-10(2)7-8-13(14)17-15(18)11-5-4-6-12(11)16(19)20/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).