N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide

C11H21NO2 — CID 58767519

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(2)10(13)12-8-11(14)6-4-3-5-7-11/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyJIWIOTBNFNUJSK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide

N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide (PubChem CID 58767519) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
PubChem CID58767519
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(2)10(13)12-8-11(14)6-4-3-5-7-11/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyJIWIOTBNFNUJSK-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide 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-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65106150
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
CID 103969430
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753
N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylpropanamide
CID 115626883
2-ethoxy-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331443
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 111430885

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide (CID 58767519) is N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide is CC(C)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
The InChIKey is JIWIOTBNFNUJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)10(13)12-8-11(14)6-4-3-5-7-11/h9,14H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide?
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide has a molecular weight of 199.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 58767519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).