N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide

C11H17NO — CID 118616072

IUPACN-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide
SMILESC=C/C(=C\C=C(C)C)N(C)C(C)=O
InChIInChI=1S/C11H17NO/c1-6-11(8-7-9(2)3)12(5)10(4)13/h6-8H,1H2,2-5H3/b11-8+
InChIKeyJBQVVSGZPDVJNJ-DHZHZOJOSA-N
MW179.26 g/mol
LogP2.50
Rot. Bonds3

About N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide

N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide (PubChem CID 118616072) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide
PubChem CID118616072
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide
SMILESC=C/C(=C\C=C(C)C)N(C)C(C)=O
InChIInChI=1S/C11H17NO/c1-6-11(8-7-9(2)3)12(5)10(4)13/h6-8H,1H2,2-5H3/b11-8+
InChIKeyJBQVVSGZPDVJNJ-DHZHZOJOSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide (CID 118616072) is N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide is C=C/C(=C\C=C(C)C)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide?
The InChIKey is JBQVVSGZPDVJNJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-11(8-7-9(2)3)12(5)10(4)13/h6-8H,1H2,2-5H3/b11-8+.
What are the key properties of N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide?
N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide has a molecular weight of 179.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]acetamide is sourced from PubChem (CID 118616072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).