N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide

C26H39NO — CID 123812720

IUPACN-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide
SMILESC=C=C(C(C)=CCCC)N(CC=CC(=CCC)C(C)=CC)C(=O)CC(=C)CC
InChIInChI=1S/C26H39NO/c1-9-14-17-23(8)25(13-5)27(26(28)20-21(6)11-3)19-15-18-24(16-10-2)22(7)12-4/h12,15-18H,5-6,9-11,14,19-20H2,1-4,7-8H3
InChIKeyWCHKAHORVWYYIO-UHFFFAOYSA-N
MW381.60 g/mol
LogP7.45
Rot. Bonds12

About N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide

N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide (PubChem CID 123812720) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide.

Molecular Properties

Compound NameN-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide
PubChem CID123812720
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC NameN-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide
SMILESC=C=C(C(C)=CCCC)N(CC=CC(=CCC)C(C)=CC)C(=O)CC(=C)CC
InChIInChI=1S/C26H39NO/c1-9-14-17-23(8)25(13-5)27(26(28)20-21(6)11-3)19-15-18-24(16-10-2)22(7)12-4/h12,15-18H,5-6,9-11,14,19-20H2,1-4,7-8H3
InChIKeyWCHKAHORVWYYIO-UHFFFAOYSA-N
XLogP7.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide?
The IUPAC name of N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide (CID 123812720) is N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide.
What is the SMILES notation for N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide?
The canonical SMILES for N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide is C=C=C(C(C)=CCCC)N(CC=CC(=CCC)C(C)=CC)C(=O)CC(=C)CC.
What is the InChIKey of N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide?
The InChIKey is WCHKAHORVWYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO/c1-9-14-17-23(8)25(13-5)27(26(28)20-21(6)11-3)19-15-18-24(16-10-2)22(7)12-4/h12,15-18H,5-6,9-11,14,19-20H2,1-4,7-8H3.
What are the key properties of N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide?
N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide has a molecular weight of 381.60 g/mol, XLogP of 7.45, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-but-2-en-2-ylhepta-2,4-dienyl)-3-methylidene-N-(4-methylocta-1,2,4-trien-3-yl)pentanamide is sourced from PubChem (CID 123812720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).