N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide

C11H17NO — CID 123368066

IUPACN-ethyl-N-hepta-1,3,5-trien-3-ylacetamide
SMILESC=CC(=CC=CC)N(CC)C(C)=O
InChIInChI=1S/C11H17NO/c1-5-8-9-11(6-2)12(7-3)10(4)13/h5-6,8-9H,2,7H2,1,3-4H3
InChIKeySZCUQRAGKQIXIP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.50
Rot. Bonds4

About N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide

N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide (PubChem CID 123368066) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-hepta-1,3,5-trien-3-ylacetamide
PubChem CID123368066
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-ethyl-N-hepta-1,3,5-trien-3-ylacetamide
SMILESC=CC(=CC=CC)N(CC)C(C)=O
InChIInChI=1S/C11H17NO/c1-5-8-9-11(6-2)12(7-3)10(4)13/h5-6,8-9H,2,7H2,1,3-4H3
InChIKeySZCUQRAGKQIXIP-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-ethyl-N-hepta-1,3,5-trien-3-ylacetamide 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

1,6-Dimethylpyridin-2-one
CID 319981
1-Vinyl-6-methyl-2-pyridone
CID 14323034
Acetyldihydropyridine
CID 13319478
N-Methylacetylpyridin
CID 53667547
1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone
CID 91235568
1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone
CID 174310868
2(1H)-Pyridone, 1-ethyl-6-methyl-
CID 586299
1-(4-Acetyl-7-methyl-5-methylidene-2,3-dihydro-1,4-diazepin-1-yl)ethanone
CID 311927
N-[(E)-2,4-pentadienyl]-N-(2-propenyl)-acetamide
CID 12260271
N-penta-2,4-dienyl-N-prop-2-enylacetamide
CID 54405580
6-Methyl-1-propan-2-ylpyridin-2-one
CID 58336964
5-Methylidene-1-propan-2-ylpyrrol-2-one
CID 59163584

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide?
The IUPAC name of N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide (CID 123368066) is N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide.
What is the SMILES notation for N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide?
The canonical SMILES for N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide is C=CC(=CC=CC)N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide?
The InChIKey is SZCUQRAGKQIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-8-9-11(6-2)12(7-3)10(4)13/h5-6,8-9H,2,7H2,1,3-4H3.
What are the key properties of N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide?
N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide has a molecular weight of 179.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide is sourced from PubChem (CID 123368066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).