(4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide

C20H31NO — CID 89453028

IUPAC(4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide
SMILESC=C/C=C\CCC(=O)NC(=C)/C(=C\C=C/CC(C)C)C(C)C
InChIInChI=1S/C20H31NO/c1-7-8-9-10-15-20(22)21-18(6)19(17(4)5)14-12-11-13-16(2)3/h7-9,11-12,14,16-17H,1,6,10,13,15H2,2-5H3,(H,21,22)/b9-8-,12-11-,19-14-
InChIKeyRBFSSZFIVXSHDT-CLJNWMMFSA-N
MW301.47 g/mol
LogP5.32
Rot. Bonds10

About (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide

(4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide (PubChem CID 89453028) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide
PubChem CID89453028
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name(4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide
SMILESC=C/C=C\CCC(=O)NC(=C)/C(=C\C=C/CC(C)C)C(C)C
InChIInChI=1S/C20H31NO/c1-7-8-9-10-15-20(22)21-18(6)19(17(4)5)14-12-11-13-16(2)3/h7-9,11-12,14,16-17H,1,6,10,13,15H2,2-5H3,(H,21,22)/b9-8-,12-11-,19-14-
InChIKeyRBFSSZFIVXSHDT-CLJNWMMFSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide?
The IUPAC name of (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide (CID 89453028) is (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide.
What is the SMILES notation for (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide?
The canonical SMILES for (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide is C=C/C=C\CCC(=O)NC(=C)/C(=C\C=C/CC(C)C)C(C)C.
What is the InChIKey of (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide?
The InChIKey is RBFSSZFIVXSHDT-CLJNWMMFSA-N. The full InChI is InChI=1S/C20H31NO/c1-7-8-9-10-15-20(22)21-18(6)19(17(4)5)14-12-11-13-16(2)3/h7-9,11-12,14,16-17H,1,6,10,13,15H2,2-5H3,(H,21,22)/b9-8-,12-11-,19-14-.
What are the key properties of (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide?
(4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide has a molecular weight of 301.47 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(3Z,5Z)-8-methyl-3-propan-2-ylnona-1,3,5-trien-2-yl]hepta-4,6-dienamide is sourced from PubChem (CID 89453028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).