N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide

C11H20ClNO2 — CID 115364529

IUPACN-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
SMILESCC(C)(CCl)CNC(=O)CC1CCCO1
InChIInChI=1S/C11H20ClNO2/c1-11(2,7-12)8-13-10(14)6-9-4-3-5-15-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyRQUTZCWHPPJWFE-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.94
Rot. Bonds5

About N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide

N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide (PubChem CID 115364529) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
PubChem CID115364529
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
SMILESCC(C)(CCl)CNC(=O)CC1CCCO1
InChIInChI=1S/C11H20ClNO2/c1-11(2,7-12)8-13-10(14)6-9-4-3-5-15-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyRQUTZCWHPPJWFE-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)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

N-(5-chloro-2,2-dimethylpentyl)-2-(oxolan-2-yl)acetamide
CID 106144658
N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
CID 106143879
N-(5-hydroxy-2,2-dimethylpentyl)-2-(oxan-2-yl)acetamide
CID 103899551
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
CID 103843667
N-(2-methylprop-2-enyl)-2-(oxolan-2-yl)acetamide
CID 114618448
2-[(2R)-oxolan-2-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068683
2-(3-chloro-2,2-dimethylpropyl)oxolane
CID 66059944
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide (CID 115364529) is N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide is CC(C)(CCl)CNC(=O)CC1CCCO1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is RQUTZCWHPPJWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-11(2,7-12)8-13-10(14)6-9-4-3-5-15-9/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide?
N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 233.74 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 115364529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).