(Z)-18-butyldocos-9-enamide

C26H51NO — CID 135362896

IUPAC(Z)-18-butyldocos-9-enamide
SMILESCCCCC(CCCC)CCCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/C26H51NO/c1-3-5-21-25(22-6-4-2)23-19-17-15-13-11-9-7-8-10-12-14-16-18-20-24-26(27)28/h7-8,25H,3-6,9-24H2,1-2H3,(H2,27,28)/b8-7-
InChIKeyHKLKLWXQURATSW-FPLPWBNLSA-N
MW393.70 g/mol
LogP8.49
Rot. Bonds22

About (Z)-18-butyldocos-9-enamide

(Z)-18-butyldocos-9-enamide (PubChem CID 135362896) has the molecular formula C26H51NO and a molecular weight of 393.70 g/mol. Its IUPAC name is (Z)-18-butyldocos-9-enamide.

Molecular Properties

Compound Name(Z)-18-butyldocos-9-enamide
PubChem CID135362896
Molecular FormulaC26H51NO
Molecular Weight393.70 g/mol
Exact Mass393.40
IUPAC Name(Z)-18-butyldocos-9-enamide
SMILESCCCCC(CCCC)CCCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/C26H51NO/c1-3-5-21-25(22-6-4-2)23-19-17-15-13-11-9-7-8-10-12-14-16-18-20-24-26(27)28/h7-8,25H,3-6,9-24H2,1-2H3,(H2,27,28)/b8-7-
InChIKeyHKLKLWXQURATSW-FPLPWBNLSA-N
XLogP8.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9Z,28Z)-19-pentylheptatriaconta-9,28-dienediamide
CID 141048473
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
octadec-9-enamide
CID 75990485
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
(Z)-octadec-9-enamide;platinum
CID 174872668
indigane;(Z)-octadec-9-enamide
CID 174921402
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
ethanamine;(Z)-octadec-9-enamide
CID 174881781

Frequently Asked Questions

What is the IUPAC name of (Z)-18-butyldocos-9-enamide?
The IUPAC name of (Z)-18-butyldocos-9-enamide (CID 135362896) is (Z)-18-butyldocos-9-enamide.
What is the SMILES notation for (Z)-18-butyldocos-9-enamide?
The canonical SMILES for (Z)-18-butyldocos-9-enamide is CCCCC(CCCC)CCCCCCC/C=C\CCCCCCCC(N)=O.
What is the InChIKey of (Z)-18-butyldocos-9-enamide?
The InChIKey is HKLKLWXQURATSW-FPLPWBNLSA-N. The full InChI is InChI=1S/C26H51NO/c1-3-5-21-25(22-6-4-2)23-19-17-15-13-11-9-7-8-10-12-14-16-18-20-24-26(27)28/h7-8,25H,3-6,9-24H2,1-2H3,(H2,27,28)/b8-7-.
What are the key properties of (Z)-18-butyldocos-9-enamide?
(Z)-18-butyldocos-9-enamide has a molecular weight of 393.70 g/mol, XLogP of 8.49, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-butyldocos-9-enamide is sourced from PubChem (CID 135362896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).