ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide

C12H21NO — CID 144641334

IUPACethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
SMILESC=C/C=C\C(=C/CC)NC(C)=O.CC
InChIInChI=1S/C10H15NO.C2H6/c1-4-6-8-10(7-5-2)11-9(3)12;1-2/h4,6-8H,1,5H2,2-3H3,(H,11,12);1-2H3/b8-6-,10-7+;
InChIKeyNAHOZOJPSJJVQE-AFVXRTLCSA-N
MW195.31 g/mol
LogP3.18
Rot. Bonds4

About ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide

ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide (PubChem CID 144641334) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
PubChem CID144641334
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
SMILESC=C/C=C\C(=C/CC)NC(C)=O.CC
InChIInChI=1S/C10H15NO.C2H6/c1-4-6-8-10(7-5-2)11-9(3)12;1-2/h4,6-8H,1,5H2,2-3H3,(H,11,12);1-2H3/b8-6-,10-7+;
InChIKeyNAHOZOJPSJJVQE-AFVXRTLCSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-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

Related Compounds

ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]acetamide
CID 143775186
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
CID 156897783
CID 156897783
5-methylocta-1,3,5-triene
CID 123706098
ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
CID 143175455
(3E,4Z)-3-propylidenehepta-4,6-dien-2-one;toluene
CID 154692046
N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
1,3-bis[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]urea
CID 134386892
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
butane;ethane;(4Z)-hepta-4,6-dien-2-one
CID 142062116

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide?
The IUPAC name of ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide (CID 144641334) is ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide.
What is the SMILES notation for ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide?
The canonical SMILES for ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide is C=C/C=C\C(=C/CC)NC(C)=O.CC.
What is the InChIKey of ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide?
The InChIKey is NAHOZOJPSJJVQE-AFVXRTLCSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-4-6-8-10(7-5-2)11-9(3)12;1-2/h4,6-8H,1,5H2,2-3H3,(H,11,12);1-2H3/b8-6-,10-7+;.
What are the key properties of ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide?
ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide has a molecular weight of 195.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide is sourced from PubChem (CID 144641334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).