(Z,2E)-N,2-di(ethylidene)docos-13-enamide

C26H47NO — CID 166515127

IUPAC(Z,2E)-N,2-di(ethylidene)docos-13-enamide
SMILESC/C=N/C(=O)/C(=C/C)CCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C26H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(5-2)26(28)27-6-3/h5-6,13-14H,4,7-12,15-24H2,1-3H3/b14-13-,25-5+,27-6+
InChIKeyQSEIEEFJVGDZCZ-RPDKNYIISA-N
MW389.67 g/mol
LogP8.76
Rot. Bonds19

About (Z,2E)-N,2-di(ethylidene)docos-13-enamide

(Z,2E)-N,2-di(ethylidene)docos-13-enamide (PubChem CID 166515127) has the molecular formula C26H47NO and a molecular weight of 389.67 g/mol. Its IUPAC name is (Z,2E)-N,2-di(ethylidene)docos-13-enamide.

Molecular Properties

Compound Name(Z,2E)-N,2-di(ethylidene)docos-13-enamide
PubChem CID166515127
Molecular FormulaC26H47NO
Molecular Weight389.67 g/mol
Exact Mass389.37
IUPAC Name(Z,2E)-N,2-di(ethylidene)docos-13-enamide
SMILESC/C=N/C(=O)/C(=C/C)CCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C26H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(5-2)26(28)27-6-3/h5-6,13-14H,4,7-12,15-24H2,1-3H3/b14-13-,25-5+,27-6+
InChIKeyQSEIEEFJVGDZCZ-RPDKNYIISA-N
XLogP8.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 58.76
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': 'isolated_alkene', '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
N-[2-[(Z)-octadec-9-enoyl]iminoethylidene]octadec-9-enamide
CID 141354995
N-(2-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
3-Hexadecylpyrrol-2-one
CID 150024905
3-Dodecanoylazepin-2-one
CID 153528148
(Z,2E)-N,2-di(ethylidene)octadec-9-enamide
CID 166515126
(2E)-N,2-di(ethylidene)docosanamide
CID 166515128
(2E)-N,2-di(propylidene)octadecanamide
CID 166515129

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N,2-di(ethylidene)docos-13-enamide?
The IUPAC name of (Z,2E)-N,2-di(ethylidene)docos-13-enamide (CID 166515127) is (Z,2E)-N,2-di(ethylidene)docos-13-enamide.
What is the SMILES notation for (Z,2E)-N,2-di(ethylidene)docos-13-enamide?
The canonical SMILES for (Z,2E)-N,2-di(ethylidene)docos-13-enamide is C/C=N/C(=O)/C(=C/C)CCCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z,2E)-N,2-di(ethylidene)docos-13-enamide?
The InChIKey is QSEIEEFJVGDZCZ-RPDKNYIISA-N. The full InChI is InChI=1S/C26H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(5-2)26(28)27-6-3/h5-6,13-14H,4,7-12,15-24H2,1-3H3/b14-13-,25-5+,27-6+.
What are the key properties of (Z,2E)-N,2-di(ethylidene)docos-13-enamide?
(Z,2E)-N,2-di(ethylidene)docos-13-enamide has a molecular weight of 389.67 g/mol, XLogP of 8.76, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N,2-di(ethylidene)docos-13-enamide is sourced from PubChem (CID 166515127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).