(Z,2E)-N,2-di(ethylidene)octadec-9-enamide

C22H39NO — CID 166515126

IUPAC(Z,2E)-N,2-di(ethylidene)octadec-9-enamide
SMILESC/C=N/C(=O)/C(=C/C)CCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C22H39NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(5-2)22(24)23-6-3/h5-6,13-14H,4,7-12,15-20H2,1-3H3/b14-13-,21-5+,23-6+
InChIKeyWDVDQVLKATZKNZ-LQXXZEPOSA-N
MW333.56 g/mol
LogP7.20
Rot. Bonds15

About (Z,2E)-N,2-di(ethylidene)octadec-9-enamide

(Z,2E)-N,2-di(ethylidene)octadec-9-enamide (PubChem CID 166515126) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is (Z,2E)-N,2-di(ethylidene)octadec-9-enamide.

Molecular Properties

Compound Name(Z,2E)-N,2-di(ethylidene)octadec-9-enamide
PubChem CID166515126
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name(Z,2E)-N,2-di(ethylidene)octadec-9-enamide
SMILESC/C=N/C(=O)/C(=C/C)CCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C22H39NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(5-2)22(24)23-6-3/h5-6,13-14H,4,7-12,15-20H2,1-3H3/b14-13-,21-5+,23-6+
InChIKeyWDVDQVLKATZKNZ-LQXXZEPOSA-N
XLogP7.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 57.20
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': '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)docos-13-enamide
CID 166515127
(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)octadec-9-enamide?
The IUPAC name of (Z,2E)-N,2-di(ethylidene)octadec-9-enamide (CID 166515126) is (Z,2E)-N,2-di(ethylidene)octadec-9-enamide.
What is the SMILES notation for (Z,2E)-N,2-di(ethylidene)octadec-9-enamide?
The canonical SMILES for (Z,2E)-N,2-di(ethylidene)octadec-9-enamide is C/C=N/C(=O)/C(=C/C)CCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z,2E)-N,2-di(ethylidene)octadec-9-enamide?
The InChIKey is WDVDQVLKATZKNZ-LQXXZEPOSA-N. The full InChI is InChI=1S/C22H39NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(5-2)22(24)23-6-3/h5-6,13-14H,4,7-12,15-20H2,1-3H3/b14-13-,21-5+,23-6+.
What are the key properties of (Z,2E)-N,2-di(ethylidene)octadec-9-enamide?
(Z,2E)-N,2-di(ethylidene)octadec-9-enamide has a molecular weight of 333.56 g/mol, XLogP of 7.20, 15 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)octadec-9-enamide is sourced from PubChem (CID 166515126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).