3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide

C14H24ClNO — CID 62728154

IUPAC3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
SMILESCC(CCl)C(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C14H24ClNO/c1-11(9-15)14(17)16(13-7-8-13)10-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyCKZVHLGVTKFOOC-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.43
Rot. Bonds5

About 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide

3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide (PubChem CID 62728154) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
PubChem CID62728154
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
SMILESCC(CCl)C(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C14H24ClNO/c1-11(9-15)14(17)16(13-7-8-13)10-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
InChIKeyCKZVHLGVTKFOOC-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.43
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

2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylpentanamide
CID 54872866
3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 62726840
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 54873047
(2S)-2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 61174275
3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
CID 62729219
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
CID 54876535
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
CID 122082922
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 61264857
N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77046120
propyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate
CID 112738754

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide (CID 62728154) is 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide is CC(CCl)C(=O)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide?
The InChIKey is CKZVHLGVTKFOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-11(9-15)14(17)16(13-7-8-13)10-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide?
3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide has a molecular weight of 257.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 62728154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).