(3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide

C17H23NO — CID 142137417

IUPAC(3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide
SMILESCC/C=C(\C=C/CC(=O)NC)C1=CC=C(C)CC=C1
InChIInChI=1S/C17H23NO/c1-4-7-15(10-6-11-17(19)18-3)16-9-5-8-14(2)12-13-16/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,18,19)/b10-6-,15-7+
InChIKeyVGNXFGBHLKCHRC-GLAPMDOXSA-N
MW257.38 g/mol
LogP3.85
Rot. Bonds5

About (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide

(3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide (PubChem CID 142137417) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide
PubChem CID142137417
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide
SMILESCC/C=C(\C=C/CC(=O)NC)C1=CC=C(C)CC=C1
InChIInChI=1S/C17H23NO/c1-4-7-15(10-6-11-17(19)18-3)16-9-5-8-14(2)12-13-16/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,18,19)/b10-6-,15-7+
InChIKeyVGNXFGBHLKCHRC-GLAPMDOXSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide
CID 142137416
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanone
CID 142851451
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol
CID 153384449
4-(11-methoxy-7,8-dimethyltrideca-2,9,11-trien-3-yl)-1-methylcyclohepta-1,3,5-triene
CID 123987191
N-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]formamide
CID 143561422
(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
N-methyl-4,4-diphenylbut-3-enamide
CID 10824648
1-ethoxy-2-methoxyethane;4-methylcyclohepta-1,3,6-trien-1-ol
CID 143041041
(5S)-N,5-dimethyl-6-phenylhex-3-enamide
CID 57033478
(1E,3E,4Z)-1-cyclopenta-1,3-dien-1-yl-N,2-dimethyl-3-propylidenehepta-1,4-dien-1-amine
CID 138463349
N-methylbut-3-enamide
CID 13113546
1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 123336258

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide?
The IUPAC name of (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide (CID 142137417) is (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide.
What is the SMILES notation for (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide?
The canonical SMILES for (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide is CC/C=C(\C=C/CC(=O)NC)C1=CC=C(C)CC=C1.
What is the InChIKey of (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide?
The InChIKey is VGNXFGBHLKCHRC-GLAPMDOXSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-7-15(10-6-11-17(19)18-3)16-9-5-8-14(2)12-13-16/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,18,19)/b10-6-,15-7+.
What are the key properties of (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide?
(3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide has a molecular weight of 257.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-methyl-5-(4-methylcyclohepta-1,3,6-trien-1-yl)octa-3,5-dienamide is sourced from PubChem (CID 142137417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).