N-[(4-chlorocyclohexyl)methyl]octanamide

C15H28ClNO — CID 106133761

IUPACN-[(4-chlorocyclohexyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C15H28ClNO/c1-2-3-4-5-6-7-15(18)17-12-13-8-10-14(16)11-9-13/h13-14H,2-12H2,1H3,(H,17,18)
InChIKeySZZHNOPSKRHFLE-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.26
Rot. Bonds8

About N-[(4-chlorocyclohexyl)methyl]octanamide

N-[(4-chlorocyclohexyl)methyl]octanamide (PubChem CID 106133761) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]octanamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]octanamide
PubChem CID106133761
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-[(4-chlorocyclohexyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C15H28ClNO/c1-2-3-4-5-6-7-15(18)17-12-13-8-10-14(16)11-9-13/h13-14H,2-12H2,1H3,(H,17,18)
InChIKeySZZHNOPSKRHFLE-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-chlorocyclohexyl)methyl]octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
N-[(4-chlorocyclohexyl)methyl]butanamide
CID 106133703
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 21470545
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
N-[(3-hydroxycyclobutyl)methyl]dodecanamide
CID 66006246
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
N-[(2-chlorocyclohexyl)methyl]decanamide
CID 114301448
N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]octanamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]octanamide (CID 106133761) is N-[(4-chlorocyclohexyl)methyl]octanamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]octanamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]octanamide is CCCCCCCC(=O)NCC1CCC(Cl)CC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]octanamide?
The InChIKey is SZZHNOPSKRHFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-2-3-4-5-6-7-15(18)17-12-13-8-10-14(16)11-9-13/h13-14H,2-12H2,1H3,(H,17,18).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]octanamide?
N-[(4-chlorocyclohexyl)methyl]octanamide has a molecular weight of 273.85 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]octanamide is sourced from PubChem (CID 106133761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).