(Z)-N-butylideneoctadec-9-enamide

C22H41NO — CID 174583153

IUPAC(Z)-N-butylideneoctadec-9-enamide
SMILESCCC/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C22H41NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)23-21-6-4-2/h12-13,21H,3-11,14-20H2,1-2H3/b13-12-,23-21+
InChIKeyABERCWRWJPESJN-YGJABYTASA-N
MW335.58 g/mol
LogP7.42
Rot. Bonds17

About (Z)-N-butylideneoctadec-9-enamide

(Z)-N-butylideneoctadec-9-enamide (PubChem CID 174583153) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is (Z)-N-butylideneoctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-butylideneoctadec-9-enamide
PubChem CID174583153
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name(Z)-N-butylideneoctadec-9-enamide
SMILESCCC/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C22H41NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)23-21-6-4-2/h12-13,21H,3-11,14-20H2,1-2H3/b13-12-,23-21+
InChIKeyABERCWRWJPESJN-YGJABYTASA-N
XLogP7.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 57.42
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'}

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Related Compounds

(E)-octadec-9-enoyl isocyanate
CID 14098669
(Z)-octadec-9-enoyl isocyanate
CID 14098670
Octadec-9-enoyl isocyanate
CID 53813564
N-cyclohexylideneoctadec-9-enamide
CID 70202676
(Z)-N-(2-hydroxyethylidene)octadec-9-enamide
CID 87087928
N-propylidenehept-6-enamide
CID 87366045
(Z)-N-propylideneoctadec-9-enamide
CID 88712360
(6Z)-6-propyl-4,5-dihydro-3H-azocin-2-one
CID 126707093
(Z)-N-methylidenenonadec-10-enamide
CID 132223217
N-[2-[(Z)-octadec-9-enoyl]iminoethylidene]octadec-9-enamide
CID 141354995
N-(2-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
(9Z,12Z)-N-methylideneoctadeca-9,12-dienamide
CID 143858827

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butylideneoctadec-9-enamide?
The IUPAC name of (Z)-N-butylideneoctadec-9-enamide (CID 174583153) is (Z)-N-butylideneoctadec-9-enamide.
What is the SMILES notation for (Z)-N-butylideneoctadec-9-enamide?
The canonical SMILES for (Z)-N-butylideneoctadec-9-enamide is CCC/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-butylideneoctadec-9-enamide?
The InChIKey is ABERCWRWJPESJN-YGJABYTASA-N. The full InChI is InChI=1S/C22H41NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)23-21-6-4-2/h12-13,21H,3-11,14-20H2,1-2H3/b13-12-,23-21+.
What are the key properties of (Z)-N-butylideneoctadec-9-enamide?
(Z)-N-butylideneoctadec-9-enamide has a molecular weight of 335.58 g/mol, XLogP of 7.42, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butylideneoctadec-9-enamide is sourced from PubChem (CID 174583153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).