N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide

C16H28ClNO — CID 114304094

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide
SMILESCC1CCCC(CCl)(NC(=O)CCC2CCCC2)C1
InChIInChI=1S/C16H28ClNO/c1-13-5-4-10-16(11-13,12-17)18-15(19)9-8-14-6-2-3-7-14/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyKRECMGXLPIYEOZ-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.26
Rot. Bonds5

About N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide

N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide (PubChem CID 114304094) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide
PubChem CID114304094
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide
SMILESCC1CCCC(CCl)(NC(=O)CCC2CCCC2)C1
InChIInChI=1S/C16H28ClNO/c1-13-5-4-10-16(11-13,12-17)18-15(19)9-8-14-6-2-3-7-14/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyKRECMGXLPIYEOZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.26
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)-3-methylcyclohexyl]nonanamide
CID 114304010
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
CID 106300473
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
3-cyclohexyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62519861
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-ethylbutanamide
CID 114304013
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(2-hydroxyphenyl)acetamide
CID 114303922
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide
CID 114303953

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide (CID 114304094) is N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide is CC1CCCC(CCl)(NC(=O)CCC2CCCC2)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide?
The InChIKey is KRECMGXLPIYEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO/c1-13-5-4-10-16(11-13,12-17)18-15(19)9-8-14-6-2-3-7-14/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide has a molecular weight of 285.86 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-3-cyclopentylpropanamide is sourced from PubChem (CID 114304094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).