2-ethylideneoctadecanamide

C20H39NO — CID 141119567

IUPAC2-ethylideneoctadecanamide
SMILESCC=C(CCCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h4H,3,5-18H2,1-2H3,(H2,21,22)
InChIKeyOULKNGNDTMGHBA-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.29
Rot. Bonds16

About 2-ethylideneoctadecanamide

2-ethylideneoctadecanamide (PubChem CID 141119567) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 2-ethylideneoctadecanamide.

Molecular Properties

Compound Name2-ethylideneoctadecanamide
PubChem CID141119567
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name2-ethylideneoctadecanamide
SMILESCC=C(CCCCCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h4H,3,5-18H2,1-2H3,(H2,21,22)
InChIKeyOULKNGNDTMGHBA-UHFFFAOYSA-N
XLogP6.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-octadecylbut-2-enediamide
CID 73412414
(Z)-2-tetradecylbut-2-enediamide
CID 174956271
2-dodecylpentadec-2-enamide
CID 173002797
(2Z)-2-ethylideneicosanoic acid
CID 130276561
2-nonylidenedodecanediamide
CID 154630805
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
octadecanamide;zinc
CID 87169213
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
N-carbamoyl-2-ethylideneheptanamide
CID 3025421

Frequently Asked Questions

What is the IUPAC name of 2-ethylideneoctadecanamide?
The IUPAC name of 2-ethylideneoctadecanamide (CID 141119567) is 2-ethylideneoctadecanamide.
What is the SMILES notation for 2-ethylideneoctadecanamide?
The canonical SMILES for 2-ethylideneoctadecanamide is CC=C(CCCCCCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 2-ethylideneoctadecanamide?
The InChIKey is OULKNGNDTMGHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h4H,3,5-18H2,1-2H3,(H2,21,22).
What are the key properties of 2-ethylideneoctadecanamide?
2-ethylideneoctadecanamide has a molecular weight of 309.54 g/mol, XLogP of 6.29, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylideneoctadecanamide is sourced from PubChem (CID 141119567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).