3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide

C11H20ClNO — CID 43346623

IUPAC3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(N(C)C(=O)CCCl)CC1
InChIInChI=1S/C11H20ClNO/c1-9-3-5-10(6-4-9)13(2)11(14)7-8-12/h9-10H,3-8H2,1-2H3
InChIKeyKQLJARAJRINQCK-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.65
Rot. Bonds3

About 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide

3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide (PubChem CID 43346623) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
PubChem CID43346623
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(N(C)C(=O)CCCl)CC1
InChIInChI=1S/C11H20ClNO/c1-9-3-5-10(6-4-9)13(2)11(14)7-8-12/h9-10H,3-8H2,1-2H3
InChIKeyKQLJARAJRINQCK-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide (CID 43346623) is 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide is CC1CCC(N(C)C(=O)CCCl)CC1.
What is the InChIKey of 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide?
The InChIKey is KQLJARAJRINQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9-3-5-10(6-4-9)13(2)11(14)7-8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide?
3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide has a molecular weight of 217.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 43346623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).