N,N,2-triethyloctanamide

C14H29NO — CID 18435349

IUPACN,N,2-triethyloctanamide
SMILESCCCCCCC(CC)C(=O)N(CC)CC
InChIInChI=1S/C14H29NO/c1-5-9-10-11-12-13(6-2)14(16)15(7-3)8-4/h13H,5-12H2,1-4H3
InChIKeyBRRFKKPUGJEBRF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.85
Rot. Bonds9

About N,N,2-triethyloctanamide

N,N,2-triethyloctanamide (PubChem CID 18435349) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,N,2-triethyloctanamide.

Molecular Properties

Compound NameN,N,2-triethyloctanamide
PubChem CID18435349
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,N,2-triethyloctanamide
SMILESCCCCCCC(CC)C(=O)N(CC)CC
InChIInChI=1S/C14H29NO/c1-5-9-10-11-12-13(6-2)14(16)15(7-3)8-4/h13H,5-12H2,1-4H3
InChIKeyBRRFKKPUGJEBRF-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of N,N,2-triethyloctanamide?
The IUPAC name of N,N,2-triethyloctanamide (CID 18435349) is N,N,2-triethyloctanamide.
What is the SMILES notation for N,N,2-triethyloctanamide?
The canonical SMILES for N,N,2-triethyloctanamide is CCCCCCC(CC)C(=O)N(CC)CC.
What is the InChIKey of N,N,2-triethyloctanamide?
The InChIKey is BRRFKKPUGJEBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-10-11-12-13(6-2)14(16)15(7-3)8-4/h13H,5-12H2,1-4H3.
What are the key properties of N,N,2-triethyloctanamide?
N,N,2-triethyloctanamide has a molecular weight of 227.39 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-triethyloctanamide is sourced from PubChem (CID 18435349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).