2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide

C12H21NO — CID 91261547

IUPAC2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide
SMILESCC=CC=CC(C)(C)NC(=O)C(C)C
InChIInChI=1S/C12H21NO/c1-6-7-8-9-12(4,5)13-11(14)10(2)3/h6-10H,1-5H3,(H,13,14)
InChIKeyJCOWQTYEVXTGFP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.67
Rot. Bonds4

About 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide

2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide (PubChem CID 91261547) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide
PubChem CID91261547
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide
SMILESCC=CC=CC(C)(C)NC(=O)C(C)C
InChIInChI=1S/C12H21NO/c1-6-7-8-9-12(4,5)13-11(14)10(2)3/h6-10H,1-5H3,(H,13,14)
InChIKeyJCOWQTYEVXTGFP-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide (CID 91261547) is 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide is CC=CC=CC(C)(C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide?
The InChIKey is JCOWQTYEVXTGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7-8-9-12(4,5)13-11(14)10(2)3/h6-10H,1-5H3,(H,13,14).
What are the key properties of 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide?
2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide has a molecular weight of 195.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylhepta-3,5-dien-2-yl)propanamide is sourced from PubChem (CID 91261547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).