N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide

C10H17NO — CID 101347648

IUPACN-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide
SMILESCC/C=C/C(=C/NC(C)=O)CC
InChIInChI=1S/C10H17NO/c1-4-6-7-10(5-2)8-11-9(3)12/h6-8H,4-5H2,1-3H3,(H,11,12)/b7-6+,10-8+
InChIKeyPHAAGKICWSOZDU-LQPGMRSMSA-N
MW167.25 g/mol
LogP2.38
Rot. Bonds4

About N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide

N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide (PubChem CID 101347648) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide
PubChem CID101347648
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide
SMILESCC/C=C/C(=C/NC(C)=O)CC
InChIInChI=1S/C10H17NO/c1-4-6-7-10(5-2)8-11-9(3)12/h6-8H,4-5H2,1-3H3,(H,11,12)/b7-6+,10-8+
InChIKeyPHAAGKICWSOZDU-LQPGMRSMSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide 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

5-Ethyl-2-pyridinol
CID 19365871
7-Methyl-2,3-dihydroisoquinolin-3-one
CID 21541258
N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide
CID 11499230
4-Ethylpyridin-2(1H)-one
CID 19378747
4-Propylpyridone
CID 45787940
N-(1E-pentenyl)-2Z,4Z-heptadienamide
CID 5471986
N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide
CID 170717745
N-[(1E,5E)-hepta-1,5-dienyl]acetamide
CID 10080585
N-[(1Z,5E)-hepta-1,5-dienyl]acetamide
CID 10329468
N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide
CID 101347649
N-[(1Z,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide
CID 101347650
N-[(1E,3E)-2-hexyldeca-1,3-dienyl]acetamide
CID 101347651

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide?
The IUPAC name of N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide (CID 101347648) is N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide is CC/C=C/C(=C/NC(C)=O)CC.
What is the InChIKey of N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide?
The InChIKey is PHAAGKICWSOZDU-LQPGMRSMSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-10(5-2)8-11-9(3)12/h6-8H,4-5H2,1-3H3,(H,11,12)/b7-6+,10-8+.
What are the key properties of N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide?
N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide has a molecular weight of 167.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide is sourced from PubChem (CID 101347648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).