N-(2-hydroxyethyl)-N-methylhexanamide

C9H19NO2 — CID 60740332

IUPACN-(2-hydroxyethyl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CCO
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-9(12)10(2)7-8-11/h11H,3-8H2,1-2H3
InChIKeyOKBAMBYYANSTMN-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.02
Rot. Bonds6

About N-(2-hydroxyethyl)-N-methylhexanamide

N-(2-hydroxyethyl)-N-methylhexanamide (PubChem CID 60740332) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylhexanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylhexanamide
PubChem CID60740332
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(2-hydroxyethyl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)CCO
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-9(12)10(2)7-8-11/h11H,3-8H2,1-2H3
InChIKeyOKBAMBYYANSTMN-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Lauric acid diethanolamide
CID 8430
N,N-Bis(2-hydroxyethyl)decanamide
CID 61081
N,N-Bis(2-hydroxyethyl)hexadecanamide
CID 82046
N,N-bis(2-hydroxyethyl)octanamide
CID 76499
N,N,N',N'-Tetrakis(2-hydroxyethyl)adipamide
CID 95283
N,N-Bis(2-hydroxyethyl)octadecanamide
CID 7163
Myristic acid diethanolamide
CID 82045
Behenoyl diethanolamide
CID 14455181
Lauric/myristic diethanololamide
CID 76971779
N,N,N',N'-tetrakis(2-hydroxypropyl)adipamide
CID 93821
Lauric diisopropanolamide
CID 108266
N-(hexanoyl)ethanolamine
CID 559170

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylhexanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylhexanamide (CID 60740332) is N-(2-hydroxyethyl)-N-methylhexanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylhexanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylhexanamide is CCCCCC(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylhexanamide?
The InChIKey is OKBAMBYYANSTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-9(12)10(2)7-8-11/h11H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methylhexanamide?
N-(2-hydroxyethyl)-N-methylhexanamide has a molecular weight of 173.26 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylhexanamide is sourced from PubChem (CID 60740332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).