[1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid

C14H26N2O4 — CID 67085541

IUPAC[1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)C(C)(NC(=O)O)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H26N2O4/c1-13(2,3)14(4,16-12(19)20)11(18)15-9-5-7-10(17)8-6-9/h9-10,16-17H,5-8H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyFKZRUMDDHIATGK-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.48
Rot. Bonds3

About [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid

[1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 67085541) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid
PubChem CID67085541
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name[1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)(C)C(C)(NC(=O)O)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H26N2O4/c1-13(2,3)14(4,16-12(19)20)11(18)15-9-5-7-10(17)8-6-9/h9-10,16-17H,5-8H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyFKZRUMDDHIATGK-UHFFFAOYSA-N
XLogP1.48
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic 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-fluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 130165281
N-(4-hydroxycyclohexyl)-2-methyl-2-(methylamino)propanamide
CID 62836727
N-(3-hydroxycyclopentyl)-2,2-dimethylpropanamide
CID 147180484
4-tert-butyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 43389301
5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933875
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
CID 114900437
2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
CID 114900486
N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide
CID 111121758
2-[(4-hydroxycyclohexyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 104966695
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010
2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110921286

Frequently Asked Questions

What is the IUPAC name of [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid (CID 67085541) is [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid is CC(C)(C)C(C)(NC(=O)O)C(=O)NC1CCC(O)CC1.
What is the InChIKey of [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is FKZRUMDDHIATGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)14(4,16-12(19)20)11(18)15-9-5-7-10(17)8-6-9/h9-10,16-17H,5-8H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid?
[1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 286.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-hydroxycyclohexyl)amino]-2,3,3-trimethyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 67085541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).