3-chloro-N-cyclobutyl-2,2-dimethylpropanamide

C9H16ClNO — CID 63664456

IUPAC3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCC1
InChIInChI=1S/C9H16ClNO/c1-9(2,6-10)8(12)11-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyGPUIFUWWODCNOV-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds3

About 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide

3-chloro-N-cyclobutyl-2,2-dimethylpropanamide (PubChem CID 63664456) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
PubChem CID63664456
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCC1
InChIInChI=1S/C9H16ClNO/c1-9(2,6-10)8(12)11-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyGPUIFUWWODCNOV-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide
CID 124703816
N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
CID 63681125
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
N-cyclopentyl-3-hydroxy-2,2-dimethylpropanamide
CID 66746460
N-cyclopentyl-2,2-dimethylbutanamide
CID 4627793
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 63680196
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2,2-dimethylpropanamide
CID 107216789
3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79871536
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
2-chloro-N-cyclohexyl-2-methylpropanamide
CID 70600650
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide (CID 63664456) is 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC1CCC1.
What is the InChIKey of 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide?
The InChIKey is GPUIFUWWODCNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-9(2,6-10)8(12)11-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide?
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutyl-2,2-dimethylpropanamide is sourced from PubChem (CID 63664456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).