4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide

C15H29NO2 — CID 115151021

IUPAC4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(C)C(=O)C1CCC(CCO)CC1
InChIInChI=1S/C15H29NO2/c1-12(2)8-10-16(3)15(18)14-6-4-13(5-7-14)9-11-17/h12-14,17H,4-11H2,1-3H3
InChIKeyYMAZOOKBRJLIAY-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.68
Rot. Bonds6

About 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide

4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 115151021) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID115151021
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCN(C)C(=O)C1CCC(CCO)CC1
InChIInChI=1S/C15H29NO2/c1-12(2)8-10-16(3)15(18)14-6-4-13(5-7-14)9-11-17/h12-14,17H,4-11H2,1-3H3
InChIKeyYMAZOOKBRJLIAY-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[methyl(3-methylbutyl)carbamoyl]cyclohexyl]acetic acid
CID 115150971
4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115150844
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151025
N-cyclobutyl-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151010
4-tert-butyl-N-(3-hydroxybutyl)-N-methylcyclohexane-1-carboxamide
CID 115691786
4-(aminomethyl)-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 79510877
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
N-(2-bromopropyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 80665597
4-hydroxy-N-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 115150770
4-[[[methyl(3-methylbutyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526469
4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
CID 115151023
N-[4-(2-hydroxyethyl)cyclohexyl]-4-methylpentanamide
CID 116817227

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide (CID 115151021) is 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide is CC(C)CCN(C)C(=O)C1CCC(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is YMAZOOKBRJLIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)8-10-16(3)15(18)14-6-4-13(5-7-14)9-11-17/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 255.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).