N-ethyl-N-hexylhexanamide

C14H29NO — CID 91693923

IUPACN-ethyl-N-hexylhexanamide
SMILESCCCCCCN(CC)C(=O)CCCCC
InChIInChI=1S/C14H29NO/c1-4-7-9-11-13-15(6-3)14(16)12-10-8-5-2/h4-13H2,1-3H3
InChIKeyBTKFAQRRXLETCH-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.00
Rot. Bonds10

About N-ethyl-N-hexylhexanamide

N-ethyl-N-hexylhexanamide (PubChem CID 91693923) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-ethyl-N-hexylhexanamide.

Molecular Properties

Compound NameN-ethyl-N-hexylhexanamide
PubChem CID91693923
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-ethyl-N-hexylhexanamide
SMILESCCCCCCN(CC)C(=O)CCCCC
InChIInChI=1S/C14H29NO/c1-4-7-9-11-13-15(6-3)14(16)12-10-8-5-2/h4-13H2,1-3H3
InChIKeyBTKFAQRRXLETCH-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl capramide
CID 26690
N,N-Diethyldodecanamide
CID 18783
N,N-Dimethyldodecanamide
CID 18159
N,N-Dimethyloctanamide
CID 14240
N-Methylcaprolactam
CID 17369
N-Acetylcaprolactam
CID 15904
N,N-Dibutyldodecanamide
CID 219313
N,N-Dimethylhexanamide
CID 22084
1-(Pyrrolidin-1-yl)hexan-1-one
CID 246835
1-Hexanoylpiperidine
CID 246831
Diethyl caprylamide
CID 70456
1-Ethylazepan-2-one
CID 29779

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hexylhexanamide?
The IUPAC name of N-ethyl-N-hexylhexanamide (CID 91693923) is N-ethyl-N-hexylhexanamide.
What is the SMILES notation for N-ethyl-N-hexylhexanamide?
The canonical SMILES for N-ethyl-N-hexylhexanamide is CCCCCCN(CC)C(=O)CCCCC.
What is the InChIKey of N-ethyl-N-hexylhexanamide?
The InChIKey is BTKFAQRRXLETCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-9-11-13-15(6-3)14(16)12-10-8-5-2/h4-13H2,1-3H3.
What are the key properties of N-ethyl-N-hexylhexanamide?
N-ethyl-N-hexylhexanamide has a molecular weight of 227.39 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexylhexanamide is sourced from PubChem (CID 91693923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).