(Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide

C22H37NO — CID 130342599

IUPAC(Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide
SMILESC=C/C(=C\C)CCC(=O)NC(C)(C)CC(C)(C)CC(/C=C\C)=C/C
InChIInChI=1S/C22H37NO/c1-9-13-19(12-4)16-21(5,6)17-22(7,8)23-20(24)15-14-18(10-2)11-3/h9-13H,2,14-17H2,1,3-8H3,(H,23,24)/b13-9-,18-11+,19-12+
InChIKeyMNISAWPQEIPXFE-WDQOYTJGSA-N
MW331.54 g/mol
LogP6.12
Rot. Bonds10

About (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide

(Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide (PubChem CID 130342599) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide.

Molecular Properties

Compound Name(Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide
PubChem CID130342599
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name(Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide
SMILESC=C/C(=C\C)CCC(=O)NC(C)(C)CC(C)(C)CC(/C=C\C)=C/C
InChIInChI=1S/C22H37NO/c1-9-13-19(12-4)16-21(5,6)17-22(7,8)23-20(24)15-14-18(10-2)11-3/h9-13H,2,14-17H2,1,3-8H3,(H,23,24)/b13-9-,18-11+,19-12+
InChIKeyMNISAWPQEIPXFE-WDQOYTJGSA-N
XLogP6.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide?
The IUPAC name of (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide (CID 130342599) is (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide.
What is the SMILES notation for (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide?
The canonical SMILES for (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide is C=C/C(=C\C)CCC(=O)NC(C)(C)CC(C)(C)CC(/C=C\C)=C/C.
What is the InChIKey of (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide?
The InChIKey is MNISAWPQEIPXFE-WDQOYTJGSA-N. The full InChI is InChI=1S/C22H37NO/c1-9-13-19(12-4)16-21(5,6)17-22(7,8)23-20(24)15-14-18(10-2)11-3/h9-13H,2,14-17H2,1,3-8H3,(H,23,24)/b13-9-,18-11+,19-12+.
What are the key properties of (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide?
(Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide has a molecular weight of 331.54 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenyl-N-[(Z,6Z)-6-ethylidene-2,4,4-trimethylnon-7-en-2-yl]hex-4-enamide is sourced from PubChem (CID 130342599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).