2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide

C16H21NO — CID 35211952

IUPAC2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide
SMILESC=CCC(C)(CC=C)NC(=O)c1ccccc1C
InChIInChI=1S/C16H21NO/c1-5-11-16(4,12-6-2)17-15(18)14-10-8-7-9-13(14)3/h5-10H,1-2,11-12H2,3-4H3,(H,17,18)
InChIKeyWVAMIRDOYAWEPF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.64
Rot. Bonds6

About 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide

2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide (PubChem CID 35211952) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide
PubChem CID35211952
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide
SMILESC=CCC(C)(CC=C)NC(=O)c1ccccc1C
InChIInChI=1S/C16H21NO/c1-5-11-16(4,12-6-2)17-15(18)14-10-8-7-9-13(14)3/h5-10H,1-2,11-12H2,3-4H3,(H,17,18)
InChIKeyWVAMIRDOYAWEPF-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-(hydroxymethyl)-2-methylbenzamide
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N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
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2-methylidene-1-(2-methylphenyl)pent-4-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide?
The IUPAC name of 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide (CID 35211952) is 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide?
The canonical SMILES for 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide is C=CCC(C)(CC=C)NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide?
The InChIKey is WVAMIRDOYAWEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-11-16(4,12-6-2)17-15(18)14-10-8-7-9-13(14)3/h5-10H,1-2,11-12H2,3-4H3,(H,17,18).
What are the key properties of 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide?
2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide has a molecular weight of 243.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide is sourced from PubChem (CID 35211952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).