(Z)-2-tert-butyloctadec-9-enamide

C22H43NO — CID 139385050

IUPAC(Z)-2-tert-butyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C(N)=O)C(C)(C)C
InChIInChI=1S/C22H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21(23)24)22(2,3)4/h12-13,20H,5-11,14-19H2,1-4H3,(H2,23,24)/b13-12-
InChIKeyBQTXDODXAYWVLR-SEYXRHQNSA-N
MW337.59 g/mol
LogP6.78
Rot. Bonds15

About (Z)-2-tert-butyloctadec-9-enamide

(Z)-2-tert-butyloctadec-9-enamide (PubChem CID 139385050) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is (Z)-2-tert-butyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-2-tert-butyloctadec-9-enamide
PubChem CID139385050
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name(Z)-2-tert-butyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C(N)=O)C(C)(C)C
InChIInChI=1S/C22H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21(23)24)22(2,3)4/h12-13,20H,5-11,14-19H2,1-4H3,(H2,23,24)/b13-12-
InChIKeyBQTXDODXAYWVLR-SEYXRHQNSA-N
XLogP6.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.78
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

2-hexadecylicos-11-enamide
CID 173011844
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
(Z)-2-aminooctadec-9-enamide
CID 56663673
(E)-2-methyloctadec-9-enamide
CID 19371032
2-triacont-19-enylbutanediamide
CID 155758594
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534
(E)-2-hexadecylicos-3-enamide
CID 87517477
2-propylpentadec-12-enamide
CID 140789698
2-methylicosa-11,14-dienamide
CID 175746328
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547

Frequently Asked Questions

What is the IUPAC name of (Z)-2-tert-butyloctadec-9-enamide?
The IUPAC name of (Z)-2-tert-butyloctadec-9-enamide (CID 139385050) is (Z)-2-tert-butyloctadec-9-enamide.
What is the SMILES notation for (Z)-2-tert-butyloctadec-9-enamide?
The canonical SMILES for (Z)-2-tert-butyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCC(C(N)=O)C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyloctadec-9-enamide?
The InChIKey is BQTXDODXAYWVLR-SEYXRHQNSA-N. The full InChI is InChI=1S/C22H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21(23)24)22(2,3)4/h12-13,20H,5-11,14-19H2,1-4H3,(H2,23,24)/b13-12-.
What are the key properties of (Z)-2-tert-butyloctadec-9-enamide?
(Z)-2-tert-butyloctadec-9-enamide has a molecular weight of 337.59 g/mol, XLogP of 6.78, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyloctadec-9-enamide is sourced from PubChem (CID 139385050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).