3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid

C15H20N2O4 — CID 61452697

IUPAC3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
SMILESCOCCN(C(=O)Nc1cc(C(=O)O)ccc1C)C1CC1
InChIInChI=1S/C15H20N2O4/c1-10-3-4-11(14(18)19)9-13(10)16-15(20)17(7-8-21-2)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFZPVIYKBGQZCBG-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.34
Rot. Bonds6

About 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid

3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid (PubChem CID 61452697) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
PubChem CID61452697
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
SMILESCOCCN(C(=O)Nc1cc(C(=O)O)ccc1C)C1CC1
InChIInChI=1S/C15H20N2O4/c1-10-3-4-11(14(18)19)9-13(10)16-15(20)17(7-8-21-2)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFZPVIYKBGQZCBG-UHFFFAOYSA-N
XLogP2.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic 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

4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
4-chloro-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452738
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
3-(dimethylcarbamoylamino)-4-methylbenzoic acid
CID 61196836
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
3-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 81058106
1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)-3-(2-methylphenyl)urea
CID 108894182
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 87031354
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid (CID 61452697) is 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid is COCCN(C(=O)Nc1cc(C(=O)O)ccc1C)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid?
The InChIKey is FZPVIYKBGQZCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-3-4-11(14(18)19)9-13(10)16-15(20)17(7-8-21-2)12-5-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid?
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 61452697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).