N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide

C12H23NO2 — CID 62358678

IUPACN-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCCCC1O
InChIInChI=1S/C12H23NO2/c1-12(2,3)8-11(15)13-9-6-4-5-7-10(9)14/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyDAFWRFHSHVQJKN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.84
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide

N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide (PubChem CID 62358678) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
PubChem CID62358678
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCCCC1O
InChIInChI=1S/C12H23NO2/c1-12(2,3)8-11(15)13-9-6-4-5-7-10(9)14/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKeyDAFWRFHSHVQJKN-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide 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-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide
CID 64677641
4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214845
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
N-(2-hydroxycyclopentyl)-3-oxobutanamide
CID 127002121
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 94415384
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 107216789

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide (CID 62358678) is N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide?
The InChIKey is DAFWRFHSHVQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)8-11(15)13-9-6-4-5-7-10(9)14/h9-10,14H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide?
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 62358678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).