4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C16H30N2O3 — CID 61437333

IUPAC4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(CC)CN(CC)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-12(5-2)11-18(6-3)16(21)17-14-9-7-13(8-10-14)15(19)20/h12-14H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyLHBYGUIIPZZCPQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds7

About 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61437333) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61437333
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC(CC)CN(CC)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-12(5-2)11-18(6-3)16(21)17-14-9-7-13(8-10-14)15(19)20/h12-14H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyLHBYGUIIPZZCPQ-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[ethyl(2-ethylbutyl)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

3-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043366
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
4-[bis(2,2-dimethylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023696
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
cis-(1R,3S)-3-[[ethyl(prop-2-enyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319921
4-[[(2-bromophenyl)methyl-ethylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024060
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61437333) is 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCC(CC)CN(CC)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LHBYGUIIPZZCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-12(5-2)11-18(6-3)16(21)17-14-9-7-13(8-10-14)15(19)20/h12-14H,4-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61437333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).