4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C20H28N2O3 — CID 122024709

IUPAC4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C2CCN(C(=O)NC3CCC(C(=O)O)CC3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-14-3-5-15(6-4-14)17-11-12-22(13-17)20(25)21-18-9-7-16(8-10-18)19(23)24/h3-6,16-18H,2,7-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyLDZLQUOMIXNYHY-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.39
Rot. Bonds4

About 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024709) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024709
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(C2CCN(C(=O)NC3CCC(C(=O)O)CC3)C2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-14-3-5-15(6-4-14)17-11-12-22(13-17)20(25)21-18-9-7-16(8-10-18)19(23)24/h3-6,16-18H,2,7-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyLDZLQUOMIXNYHY-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-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

(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
N-cyclohexyl-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 110364020
4-[[3-(2,4-dimethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024108
methyl 4-[[4-[4-(aminomethyl)phenyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate
CID 19391458
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 167793829
4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023327
3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
CID 121146751
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 106587983
4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122039059

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122024709) is 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is CCc1ccc(C2CCN(C(=O)NC3CCC(C(=O)O)CC3)C2)cc1.
What is the InChIKey of 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LDZLQUOMIXNYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-14-3-5-15(6-4-14)17-11-12-22(13-17)20(25)21-18-9-7-16(8-10-18)19(23)24/h3-6,16-18H,2,7-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 344.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).