4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C14H26N2O4 — CID 61447425

IUPAC4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(CCO)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-2-3-8-16(9-10-17)14(20)15-12-6-4-11(5-7-12)13(18)19/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyDCZYGCBLSOELLI-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds7

About 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61447425) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61447425
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCCN(CCO)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-2-3-8-16(9-10-17)14(20)15-12-6-4-11(5-7-12)13(18)19/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyDCZYGCBLSOELLI-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[butyl(2-hydroxyethyl)carbamoyl]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

cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024885
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
3-[[butyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030439
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025047
4-[[2-hydroxyethyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024097
4-[bis(2,2-dimethylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023696
4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783137
3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110882613
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61447425) is 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCCCN(CCO)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DCZYGCBLSOELLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-8-16(9-10-17)14(20)15-12-6-4-11(5-7-12)13(18)19/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61447425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).