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

C16H30ClNO — CID 113273225

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC1(CCl)CCC(C)CC1
InChIInChI=1S/C16H30ClNO/c1-4-6-7-14(5-2)15(19)18-16(12-17)10-8-13(3)9-11-16/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyGZHOMWGJWXVYDP-UHFFFAOYSA-N
MW287.87 g/mol
LogP4.51
Rot. Bonds7

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

N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide (PubChem CID 113273225) has the molecular formula C16H30ClNO and a molecular weight of 287.87 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide
PubChem CID113273225
Molecular FormulaC16H30ClNO
Molecular Weight287.87 g/mol
Exact Mass287.20
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC1(CCl)CCC(C)CC1
InChIInChI=1S/C16H30ClNO/c1-4-6-7-14(5-2)15(19)18-16(12-17)10-8-13(3)9-11-16/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyGZHOMWGJWXVYDP-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.87
LogP ≤ 54.51
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-cyano-4-methylcyclohexyl)-2-ethylhexanamide
CID 61119147
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-ethylbutanamide
CID 114304013
N-[1-(chloromethyl)cyclohexyl]-2-ethylbutanamide
CID 114303398
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylpropanamide
CID 62726873
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103969559
N-cyclopentyl-2-ethylhexanamide
CID 4146053
N-[1-(chloromethyl)-4-methylcyclohexyl]cycloheptanecarboxamide
CID 114304280
N-cyclooctyl-2-ethylhexanamide
CID 3989939
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-(aminomethyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,4-dimethylpentanamide
CID 107472051
N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide
CID 61119748

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide (CID 113273225) is N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NC1(CCl)CCC(C)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide?
The InChIKey is GZHOMWGJWXVYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNO/c1-4-6-7-14(5-2)15(19)18-16(12-17)10-8-13(3)9-11-16/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide?
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide has a molecular weight of 287.87 g/mol, XLogP of 4.51, 7 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-ethylhexanamide is sourced from PubChem (CID 113273225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).