N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide

C12H22ClNO2 — CID 106828991

IUPACN-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCOCCCl)CCCCC1
InChIInChI=1S/C12H22ClNO2/c1-12(5-3-2-4-6-12)11(15)14-8-10-16-9-7-13/h2-10H2,1H3,(H,14,15)
InChIKeyLQAVBWZXHPLZGC-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide

N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106828991) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106828991
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCOCCCl)CCCCC1
InChIInChI=1S/C12H22ClNO2/c1-12(5-3-2-4-6-12)11(15)14-8-10-16-9-7-13/h2-10H2,1H3,(H,14,15)
InChIKeyLQAVBWZXHPLZGC-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-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-[3-(2-chloroethoxy)propyl]-1-methylcyclohexane-1-carboxamide
CID 106306814
N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide
CID 114309324
2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 106826363
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
CID 105060872
2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid
CID 165477386
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
N-(3-chloro-4-methoxybutyl)-1-methylcyclohexane-1-carboxamide
CID 106244255
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
CID 106827286
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide (CID 106828991) is N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCCOCCCl)CCCCC1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is LQAVBWZXHPLZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-12(5-3-2-4-6-12)11(15)14-8-10-16-9-7-13/h2-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide?
N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 247.77 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).