N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide

C11H21NO3 — CID 112531446

IUPACN-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)N(C)CCO)CC1
InChIInChI=1S/C11H21NO3/c1-12(7-8-13)11(14)9-3-5-10(15-2)6-4-9/h9-10,13H,3-8H2,1-2H3
InChIKeyUUVAZVLZRWVBII-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds4

About N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide

N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 112531446) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID112531446
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)N(C)CCO)CC1
InChIInChI=1S/C11H21NO3/c1-12(7-8-13)11(14)9-3-5-10(15-2)6-4-9/h9-10,13H,3-8H2,1-2H3
InChIKeyUUVAZVLZRWVBII-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide (CID 112531446) is N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide is COC1CCC(C(=O)N(C)CCO)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is UUVAZVLZRWVBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12(7-8-13)11(14)9-3-5-10(15-2)6-4-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide?
N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 112531446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).