N-(4-ethylhexyl)hexanamide

C14H29NO — CID 155589140

IUPACN-(4-ethylhexyl)hexanamide
SMILESCCCCCC(=O)NCCCC(CC)CC
InChIInChI=1S/C14H29NO/c1-4-7-8-11-14(16)15-12-9-10-13(5-2)6-3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeySLTZYXJLBPHEDX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.90
Rot. Bonds10

About N-(4-ethylhexyl)hexanamide

N-(4-ethylhexyl)hexanamide (PubChem CID 155589140) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(4-ethylhexyl)hexanamide.

Molecular Properties

Compound NameN-(4-ethylhexyl)hexanamide
PubChem CID155589140
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(4-ethylhexyl)hexanamide
SMILESCCCCCC(=O)NCCCC(CC)CC
InChIInChI=1S/C14H29NO/c1-4-7-8-11-14(16)15-12-9-10-13(5-2)6-3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeySLTZYXJLBPHEDX-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dihydroxybutyl)decanamide
CID 163472337
N-pentylicosanamide
CID 139961886
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylhexyl)hexanamide?
The IUPAC name of N-(4-ethylhexyl)hexanamide (CID 155589140) is N-(4-ethylhexyl)hexanamide.
What is the SMILES notation for N-(4-ethylhexyl)hexanamide?
The canonical SMILES for N-(4-ethylhexyl)hexanamide is CCCCCC(=O)NCCCC(CC)CC.
What is the InChIKey of N-(4-ethylhexyl)hexanamide?
The InChIKey is SLTZYXJLBPHEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-8-11-14(16)15-12-9-10-13(5-2)6-3/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of N-(4-ethylhexyl)hexanamide?
N-(4-ethylhexyl)hexanamide has a molecular weight of 227.39 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylhexyl)hexanamide is sourced from PubChem (CID 155589140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).