N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide

C10H19NO2 — CID 21100734

IUPACN-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide
SMILESCN(CCO)C(=O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c1-11(7-8-12)10(13)9-5-3-2-4-6-9/h9,12H,2-8H2,1H3
InChIKeyKRGDEQILEABYMI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide

N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide (PubChem CID 21100734) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide
PubChem CID21100734
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide
SMILESCN(CCO)C(=O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c1-11(7-8-12)10(13)9-5-3-2-4-6-9/h9,12H,2-8H2,1H3
InChIKeyKRGDEQILEABYMI-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide (CID 21100734) is N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide is CN(CCO)C(=O)C1CCCCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide?
The InChIKey is KRGDEQILEABYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(7-8-12)10(13)9-5-3-2-4-6-9/h9,12H,2-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide?
N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide has a molecular weight of 185.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 21100734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).