(Z)-docos-6-enamide

C22H43NO — CID 44584605

IUPAC(Z)-docos-6-enamide
SMILESCCCCCCCCCCCCCCC/C=C\CCCCC(N)=O
InChIInChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h16-17H,2-15,18-21H2,1H3,(H2,23,24)/b17-16-
InChIKeyCOUPDYRANTUKKV-MSUUIHNZSA-N
MW337.59 g/mol
LogP7.07
Rot. Bonds19

About (Z)-docos-6-enamide

(Z)-docos-6-enamide (PubChem CID 44584605) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is (Z)-docos-6-enamide.

Molecular Properties

Compound Name(Z)-docos-6-enamide
PubChem CID44584605
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name(Z)-docos-6-enamide
SMILESCCCCCCCCCCCCCCC/C=C\CCCCC(N)=O
InChIInChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h16-17H,2-15,18-21H2,1H3,(H2,23,24)/b17-16-
InChIKeyCOUPDYRANTUKKV-MSUUIHNZSA-N
XLogP7.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 57.07
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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Frequently Asked Questions

What is the IUPAC name of (Z)-docos-6-enamide?
The IUPAC name of (Z)-docos-6-enamide (CID 44584605) is (Z)-docos-6-enamide.
What is the SMILES notation for (Z)-docos-6-enamide?
The canonical SMILES for (Z)-docos-6-enamide is CCCCCCCCCCCCCCC/C=C\CCCCC(N)=O.
What is the InChIKey of (Z)-docos-6-enamide?
The InChIKey is COUPDYRANTUKKV-MSUUIHNZSA-N. The full InChI is InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h16-17H,2-15,18-21H2,1H3,(H2,23,24)/b17-16-.
What are the key properties of (Z)-docos-6-enamide?
(Z)-docos-6-enamide has a molecular weight of 337.59 g/mol, XLogP of 7.07, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-docos-6-enamide is sourced from PubChem (CID 44584605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).