N-ethyloctadecanamide;octadecanamide

C38H78N2O2 — CID 159879248

IUPACN-ethyloctadecanamide;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC.CCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C20H41NO.C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-19H2,1-2H3,(H,21,22);2-17H2,1H3,(H2,19,20)
InChIKeyNTHWKZDMRXNMIW-UHFFFAOYSA-N
MW595.05 g/mol
LogP12.12
Rot. Bonds33

About N-ethyloctadecanamide;octadecanamide

N-ethyloctadecanamide;octadecanamide (PubChem CID 159879248) has the molecular formula C38H78N2O2 and a molecular weight of 595.05 g/mol. Its IUPAC name is N-ethyloctadecanamide;octadecanamide.

Molecular Properties

Compound NameN-ethyloctadecanamide;octadecanamide
PubChem CID159879248
Molecular FormulaC38H78N2O2
Molecular Weight595.05 g/mol
Exact Mass594.61
IUPAC NameN-ethyloctadecanamide;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC.CCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C20H41NO.C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-19H2,1-2H3,(H,21,22);2-17H2,1H3,(H2,19,20)
InChIKeyNTHWKZDMRXNMIW-UHFFFAOYSA-N
XLogP12.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.05
LogP ≤ 512.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethylnonanediamide
CID 18377762
N'-ethyldodecanediamide
CID 175230920
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide
CID 175513367
22-(docosanoylamino)docosanamide
CID 90926402
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N,N'-diethylnonanediamide
CID 89048639
nonacosanamide
CID 21105912

Frequently Asked Questions

What is the IUPAC name of N-ethyloctadecanamide;octadecanamide?
The IUPAC name of N-ethyloctadecanamide;octadecanamide (CID 159879248) is N-ethyloctadecanamide;octadecanamide.
What is the SMILES notation for N-ethyloctadecanamide;octadecanamide?
The canonical SMILES for N-ethyloctadecanamide;octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCC.CCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of N-ethyloctadecanamide;octadecanamide?
The InChIKey is NTHWKZDMRXNMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO.C18H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-19H2,1-2H3,(H,21,22);2-17H2,1H3,(H2,19,20).
What are the key properties of N-ethyloctadecanamide;octadecanamide?
N-ethyloctadecanamide;octadecanamide has a molecular weight of 595.05 g/mol, XLogP of 12.12, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloctadecanamide;octadecanamide is sourced from PubChem (CID 159879248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).