N-ethyl-N-pentylhexanamide

C13H27NO — CID 91693911

IUPACN-ethyl-N-pentylhexanamide
SMILESCCCCCC(=O)N(CC)CCCCC
InChIInChI=1S/C13H27NO/c1-4-7-9-11-13(15)14(6-3)12-10-8-5-2/h4-12H2,1-3H3
InChIKeyNPSMBHKOHAORCW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.61
Rot. Bonds9

About N-ethyl-N-pentylhexanamide

N-ethyl-N-pentylhexanamide (PubChem CID 91693911) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-N-pentylhexanamide.

Molecular Properties

Compound NameN-ethyl-N-pentylhexanamide
PubChem CID91693911
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-N-pentylhexanamide
SMILESCCCCCC(=O)N(CC)CCCCC
InChIInChI=1S/C13H27NO/c1-4-7-9-11-13(15)14(6-3)12-10-8-5-2/h4-12H2,1-3H3
InChIKeyNPSMBHKOHAORCW-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.61
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-pentylhexanamide?
The IUPAC name of N-ethyl-N-pentylhexanamide (CID 91693911) is N-ethyl-N-pentylhexanamide.
What is the SMILES notation for N-ethyl-N-pentylhexanamide?
The canonical SMILES for N-ethyl-N-pentylhexanamide is CCCCCC(=O)N(CC)CCCCC.
What is the InChIKey of N-ethyl-N-pentylhexanamide?
The InChIKey is NPSMBHKOHAORCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-9-11-13(15)14(6-3)12-10-8-5-2/h4-12H2,1-3H3.
What are the key properties of N-ethyl-N-pentylhexanamide?
N-ethyl-N-pentylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pentylhexanamide is sourced from PubChem (CID 91693911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).