N-[(2-chlorocyclohexyl)methyl]decanamide

C17H32ClNO — CID 114301448

IUPACN-[(2-chlorocyclohexyl)methyl]decanamide
SMILESCCCCCCCCCC(=O)NCC1CCCCC1Cl
InChIInChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-13-17(20)19-14-15-11-9-10-12-16(15)18/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyRGJGHGQQEIZEHN-UHFFFAOYSA-N
MW301.90 g/mol
LogP5.04
Rot. Bonds10

About N-[(2-chlorocyclohexyl)methyl]decanamide

N-[(2-chlorocyclohexyl)methyl]decanamide (PubChem CID 114301448) has the molecular formula C17H32ClNO and a molecular weight of 301.90 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]decanamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]decanamide
PubChem CID114301448
Molecular FormulaC17H32ClNO
Molecular Weight301.90 g/mol
Exact Mass301.22
IUPAC NameN-[(2-chlorocyclohexyl)methyl]decanamide
SMILESCCCCCCCCCC(=O)NCC1CCCCC1Cl
InChIInChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-13-17(20)19-14-15-11-9-10-12-16(15)18/h15-16H,2-14H2,1H3,(H,19,20)
InChIKeyRGJGHGQQEIZEHN-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.90
LogP ≤ 55.04
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-[(2-chlorocyclohexyl)methyl]decanamide 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-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
CID 113273844
N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
CID 114306695
N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
CID 107941165
N-[(3-chlorocyclopentyl)methyl]decanamide
CID 106126403
12-hydroxy-N-[[(2S)-2-(12-hydroxyoctadecanoylamino)cyclohexyl]methyl]octadecanamide
CID 159064476
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
CID 114459062
7-amino-N-[(2-methylcyclohexyl)methyl]heptanamide
CID 55012025

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]decanamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]decanamide (CID 114301448) is N-[(2-chlorocyclohexyl)methyl]decanamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]decanamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]decanamide is CCCCCCCCCC(=O)NCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]decanamide?
The InChIKey is RGJGHGQQEIZEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClNO/c1-2-3-4-5-6-7-8-13-17(20)19-14-15-11-9-10-12-16(15)18/h15-16H,2-14H2,1H3,(H,19,20).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]decanamide?
N-[(2-chlorocyclohexyl)methyl]decanamide has a molecular weight of 301.90 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]decanamide is sourced from PubChem (CID 114301448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).