7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide

C16H25NO2 — CID 85264841

IUPAC7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCCC1C=CC(C)O1
InChIInChI=1S/C16H25NO2/c1-13(2)12-17-16(18)9-7-5-4-6-8-15-11-10-14(3)19-15/h4-5,7,9-11,13-15H,6,8,12H2,1-3H3,(H,17,18)
InChIKeyZXHACYOKQOFDTK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds7

About 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide

7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide (PubChem CID 85264841) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide.

Molecular Properties

Compound Name7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide
PubChem CID85264841
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCCC1C=CC(C)O1
InChIInChI=1S/C16H25NO2/c1-13(2)12-17-16(18)9-7-5-4-6-8-15-11-10-14(3)19-15/h4-5,7,9-11,13-15H,6,8,12H2,1-3H3,(H,17,18)
InChIKeyZXHACYOKQOFDTK-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

(2E,7E,9E)-11-ethoxy-6-hydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 127025456
(2E,7E,9E)-6-ethoxy-11-hydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 127025455
(2E,4E,9E,11E)-8,13-dihydroxy-N-(2-methylpropyl)tetradeca-2,4,9,11-tetraenamide
CID 176792793
(2E,7E,9E)-6,11-dihydroxy-N-(2-methylpropyl)dodeca-2,7,9-trienamide
CID 176792794
(2E,7E,9E)-6-hydroxy-N-(2-methylpropyl)-11-oxododeca-2,7,9-trienamide
CID 176792796
N-Isobutyl-10-(isobutylcarbonyloxy)(2E,6Z,8E)-decatrienamide
CID 5372614
[(2E)-10-(2-methylpropylamino)-10-oxodeca-2,4,8-trienyl] 3-methylbutanoate
CID 172753122
[(2E)-10-(2-methylpropylamino)-10-oxodeca-2,4,8-trienyl] 3-methylbut-2-enoate
CID 172797361
(2E,4E,8Z)-10-(3-ethyloxiran-2-yl)-N-(2-methylpropyl)deca-2,4,8-trienamide
CID 10085674
ethyl (2E,8E,10E)-12-(2-methylpropylamino)-12-oxododeca-2,8,10-trienoate
CID 17996160
(3Z,5E,7Z,13E,15Z,17E)-10-methoxy-11,19-dimethyl-1-azacycloicosa-3,5,7,13,15,17-hexaen-2-one
CID 57741096
(2E,4E,8Z)-9-(3-methyloxiran-2-yl)-N-(2-methylpropyl)nona-2,4,8-trienamide
CID 88969774

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide?
The IUPAC name of 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide (CID 85264841) is 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide.
What is the SMILES notation for 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide?
The canonical SMILES for 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide is CC(C)CNC(=O)C=CC=CCCC1C=CC(C)O1.
What is the InChIKey of 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide?
The InChIKey is ZXHACYOKQOFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)12-17-16(18)9-7-5-4-6-8-15-11-10-14(3)19-15/h4-5,7,9-11,13-15H,6,8,12H2,1-3H3,(H,17,18).
What are the key properties of 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide?
7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide has a molecular weight of 263.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-2,5-dihydrofuran-2-yl)-N-(2-methylpropyl)hepta-2,4-dienamide is sourced from PubChem (CID 85264841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).