3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide

C10H18ClNO — CID 115162722

IUPAC3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
SMILESCN(CCC1CCC1)C(=O)CCCl
InChIInChI=1S/C10H18ClNO/c1-12(10(13)5-7-11)8-6-9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyYJCHHGXBUINRFX-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.26
Rot. Bonds5

About 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide

3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide (PubChem CID 115162722) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
PubChem CID115162722
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
SMILESCN(CCC1CCC1)C(=O)CCCl
InChIInChI=1S/C10H18ClNO/c1-12(10(13)5-7-11)8-6-9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyYJCHHGXBUINRFX-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(cyclopentylmethyl)-N-methylpropanamide
CID 63631256
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
CID 115167537
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
2-cyclobutylethyl(methyl)carbamothioic S-acid
CID 115170497
1-(2-cyclobutylethyl)-1-methylurea
CID 115168733
4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165295
3-amino-N-(2-cyclobutylethyl)-N,2,2-trimethylpropanamide
CID 115154782
2-cyano-N-(2-cyclopentylethyl)-N-methylacetamide
CID 115173391
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
3-cyclohexyl-N-methyl-N-(2-piperidin-2-ylethyl)propanamide
CID 43187165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide?
The IUPAC name of 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide (CID 115162722) is 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide is CN(CCC1CCC1)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide?
The InChIKey is YJCHHGXBUINRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-12(10(13)5-7-11)8-6-9-3-2-4-9/h9H,2-8H2,1H3.
What are the key properties of 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide?
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide has a molecular weight of 203.71 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide is sourced from PubChem (CID 115162722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).