N-ethyl-N-heptylhexanamide

C15H31NO — CID 91693934

IUPACN-ethyl-N-heptylhexanamide
SMILESCCCCCCCN(CC)C(=O)CCCCC
InChIInChI=1S/C15H31NO/c1-4-7-9-10-12-14-16(6-3)15(17)13-11-8-5-2/h4-14H2,1-3H3
InChIKeyINEZVAZITUKCDF-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.39
Rot. Bonds11

About N-ethyl-N-heptylhexanamide

N-ethyl-N-heptylhexanamide (PubChem CID 91693934) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-N-heptylhexanamide.

Molecular Properties

Compound NameN-ethyl-N-heptylhexanamide
PubChem CID91693934
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-ethyl-N-heptylhexanamide
SMILESCCCCCCCN(CC)C(=O)CCCCC
InChIInChI=1S/C15H31NO/c1-4-7-9-10-12-14-16(6-3)15(17)13-11-8-5-2/h4-14H2,1-3H3
InChIKeyINEZVAZITUKCDF-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.39
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

Laurocapram
CID 42981
Dimethyl capramide
CID 26690
N,N-Diethyldodecanamide
CID 18783
N,N-Dimethyldodecanamide
CID 18159
N,N-Dimethyloctanamide
CID 14240
N-Methylcaprolactam
CID 17369
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-heptylhexanamide?
The IUPAC name of N-ethyl-N-heptylhexanamide (CID 91693934) is N-ethyl-N-heptylhexanamide.
What is the SMILES notation for N-ethyl-N-heptylhexanamide?
The canonical SMILES for N-ethyl-N-heptylhexanamide is CCCCCCCN(CC)C(=O)CCCCC.
What is the InChIKey of N-ethyl-N-heptylhexanamide?
The InChIKey is INEZVAZITUKCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-7-9-10-12-14-16(6-3)15(17)13-11-8-5-2/h4-14H2,1-3H3.
What are the key properties of N-ethyl-N-heptylhexanamide?
N-ethyl-N-heptylhexanamide has a molecular weight of 241.42 g/mol, XLogP of 4.39, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-heptylhexanamide is sourced from PubChem (CID 91693934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).