N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide

C15H26ClNO — CID 114304300

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
SMILESCC1CCC(CCl)(NC(=O)CC2CCCC2)CC1
InChIInChI=1S/C15H26ClNO/c1-12-6-8-15(11-16,9-7-12)17-14(18)10-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyQPDAJKFMHJTKIY-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide

N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide (PubChem CID 114304300) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
PubChem CID114304300
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
SMILESCC1CCC(CCl)(NC(=O)CC2CCCC2)CC1
InChIInChI=1S/C15H26ClNO/c1-12-6-8-15(11-16,9-7-12)17-14(18)10-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyQPDAJKFMHJTKIY-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.87
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-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide
CID 114459153
N-[1-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
CID 114459061
N-[1-(chloromethyl)-4-methylcyclohexyl]cycloheptanecarboxamide
CID 114304280
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
CID 114304382
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135926
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
CID 61121520
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-(oxan-2-yl)propanamide
CID 114304322
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135565
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide
CID 114304094
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
CID 114459158

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide (CID 114304300) is N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide is CC1CCC(CCl)(NC(=O)CC2CCCC2)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide?
The InChIKey is QPDAJKFMHJTKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-12-6-8-15(11-16,9-7-12)17-14(18)10-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide?
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide has a molecular weight of 271.83 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide is sourced from PubChem (CID 114304300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).