2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide

C16H31NO3 — CID 109380808

IUPAC2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C16H31NO3/c1-12(2)14(19)15(3,4)11-17-13(18)10-16(20)8-6-5-7-9-16/h12,14,19-20H,5-11H2,1-4H3,(H,17,18)
InChIKeyJLDRTVZDFPNHJK-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.23
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide

2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide (PubChem CID 109380808) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
PubChem CID109380808
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C16H31NO3/c1-12(2)14(19)15(3,4)11-17-13(18)10-16(20)8-6-5-7-9-16/h12,14,19-20H,5-11H2,1-4H3,(H,17,18)
InChIKeyJLDRTVZDFPNHJK-UHFFFAOYSA-N
XLogP2.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide 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

1-hydroxy-N-(3-hydroxy-2,2,4-trimethylpentyl)cyclopentane-1-carboxamide
CID 109381283
3-[[2-(1-hydroxycyclohexyl)acetyl]amino]-2,2-dimethylpropanamide
CID 111331912
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 111430885
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
N'-(3-hydroxy-2,2,4-trimethylpentyl)-N-prop-2-ynylpropanediamide
CID 110017612
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 109380805
2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 111464650
2-(1-aminocyclohexyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113492226
N-[(1-ethylcyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111969896
2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 111331945
2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600
(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide
CID 111825842

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide (CID 109380808) is 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide is CC(C)C(O)C(C)(C)CNC(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide?
The InChIKey is JLDRTVZDFPNHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-12(2)14(19)15(3,4)11-17-13(18)10-16(20)8-6-5-7-9-16/h12,14,19-20H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide?
2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide has a molecular weight of 285.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide is sourced from PubChem (CID 109380808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).