(2E)-N,2-di(propylidene)octadecanamide

C24H45NO — CID 166515129

IUPAC(2E)-N,2-di(propylidene)octadecanamide
SMILESCC/C=N/C(=O)/C(=C/CC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C24H45NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(20-5-2)24(26)25-22-6-3/h20,22H,4-19,21H2,1-3H3/b23-20+,25-22+
InChIKeyLJDBESVFRCEGTK-KSTRFRPASA-N
MW363.63 g/mol
LogP8.20
Rot. Bonds18

About (2E)-N,2-di(propylidene)octadecanamide

(2E)-N,2-di(propylidene)octadecanamide (PubChem CID 166515129) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is (2E)-N,2-di(propylidene)octadecanamide.

Molecular Properties

Compound Name(2E)-N,2-di(propylidene)octadecanamide
PubChem CID166515129
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name(2E)-N,2-di(propylidene)octadecanamide
SMILESCC/C=N/C(=O)/C(=C/CC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C24H45NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(20-5-2)24(26)25-22-6-3/h20,22H,4-19,21H2,1-3H3/b23-20+,25-22+
InChIKeyLJDBESVFRCEGTK-KSTRFRPASA-N
XLogP8.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-propylideneoctadec-9-enamide
CID 88712360
3-Octylpyrrol-2-one
CID 140967878
3-Butylpyrrol-2-one
CID 140993562
3-Pentylpyrrol-2-one
CID 141007598
3-Dodecylazepin-2-one
CID 141035638
3-Hexadecylpyrrol-2-one
CID 150024905
(Z,2E)-N,2-di(ethylidene)octadec-9-enamide
CID 166515126
(Z,2E)-N,2-di(ethylidene)docos-13-enamide
CID 166515127
(2E)-N,2-di(ethylidene)docosanamide
CID 166515128
1-(2-Oxopyrrol-3-yl)tridecane-2,4-dione
CID 167600069
3-(2-Oxononyl)pyrrol-2-one
CID 167616208
3-(2-Oxotridecyl)pyrrol-2-one
CID 167658414

Frequently Asked Questions

What is the IUPAC name of (2E)-N,2-di(propylidene)octadecanamide?
The IUPAC name of (2E)-N,2-di(propylidene)octadecanamide (CID 166515129) is (2E)-N,2-di(propylidene)octadecanamide.
What is the SMILES notation for (2E)-N,2-di(propylidene)octadecanamide?
The canonical SMILES for (2E)-N,2-di(propylidene)octadecanamide is CC/C=N/C(=O)/C(=C/CC)CCCCCCCCCCCCCCCC.
What is the InChIKey of (2E)-N,2-di(propylidene)octadecanamide?
The InChIKey is LJDBESVFRCEGTK-KSTRFRPASA-N. The full InChI is InChI=1S/C24H45NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(20-5-2)24(26)25-22-6-3/h20,22H,4-19,21H2,1-3H3/b23-20+,25-22+.
What are the key properties of (2E)-N,2-di(propylidene)octadecanamide?
(2E)-N,2-di(propylidene)octadecanamide has a molecular weight of 363.63 g/mol, XLogP of 8.20, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,2-di(propylidene)octadecanamide is sourced from PubChem (CID 166515129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).