N,N-diethyloctadecanamide

C22H45NO — CID 575487

IUPACN,N-diethyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CC)CC
InChIInChI=1S/C22H45NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h4-21H2,1-3H3
InChIKeyQPDIFNAJIOOAQI-UHFFFAOYSA-N
MW339.61 g/mol
LogP7.12
Rot. Bonds18

About N,N-diethyloctadecanamide

N,N-diethyloctadecanamide (PubChem CID 575487) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is N,N-diethyloctadecanamide.

Molecular Properties

Compound NameN,N-diethyloctadecanamide
PubChem CID575487
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC NameN,N-diethyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CC)CC
InChIInChI=1S/C22H45NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h4-21H2,1-3H3
InChIKeyQPDIFNAJIOOAQI-UHFFFAOYSA-N
XLogP7.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 57.12
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-diethyloctadecanamide?
The IUPAC name of N,N-diethyloctadecanamide (CID 575487) is N,N-diethyloctadecanamide.
What is the SMILES notation for N,N-diethyloctadecanamide?
The canonical SMILES for N,N-diethyloctadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyloctadecanamide?
The InChIKey is QPDIFNAJIOOAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h4-21H2,1-3H3.
What are the key properties of N,N-diethyloctadecanamide?
N,N-diethyloctadecanamide has a molecular weight of 339.61 g/mol, XLogP of 7.12, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyloctadecanamide is sourced from PubChem (CID 575487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).