N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide

C15H26ClNO2 — CID 114241726

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
SMILESCC1CCC(CCl)(NC(=O)C2CCOCC2C)CC1
InChIInChI=1S/C15H26ClNO2/c1-11-3-6-15(10-16,7-4-11)17-14(18)13-5-8-19-9-12(13)2/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyDLTIOUMNARPZOS-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide

N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide (PubChem CID 114241726) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
PubChem CID114241726
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
SMILESCC1CCC(CCl)(NC(=O)C2CCOCC2C)CC1
InChIInChI=1S/C15H26ClNO2/c1-11-3-6-15(10-16,7-4-11)17-14(18)13-5-8-19-9-12(13)2/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyDLTIOUMNARPZOS-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide 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-[1-(chloromethyl)-4-methylcyclohexyl]oxane-3-carboxamide
CID 113273232
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106300635
N-[1-(chloromethyl)-4-methylcyclohexyl]cycloheptanecarboxamide
CID 114304280
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
CID 114304382
N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide
CID 131115063
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methyloxolane-3-carboxamide
CID 114303934
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,4-dioxane-2-carboxamide
CID 63767249
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 131182239

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide (CID 114241726) is N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide is CC1CCC(CCl)(NC(=O)C2CCOCC2C)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide?
The InChIKey is DLTIOUMNARPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2/c1-11-3-6-15(10-16,7-4-11)17-14(18)13-5-8-19-9-12(13)2/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide?
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide has a molecular weight of 287.83 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide is sourced from PubChem (CID 114241726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).