ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide

C13H23NO2 — CID 144607422

IUPACethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(C)/C=C\C(=C)N(C)C(=O)COC.CC
InChIInChI=1S/C11H17NO2.C2H6/c1-9(2)6-7-10(3)12(4)11(13)8-14-5;1-2/h6-7H,1,3,8H2,2,4-5H3;1-2H3/b7-6-;
InChIKeyMCLRXIMXQZCTHV-NAFXZHHSSA-N
MW225.33 g/mol
LogP2.76
Rot. Bonds5

About ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide

ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide (PubChem CID 144607422) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide.

Molecular Properties

Compound Nameethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide
PubChem CID144607422
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(C)/C=C\C(=C)N(C)C(=O)COC.CC
InChIInChI=1S/C11H17NO2.C2H6/c1-9(2)6-7-10(3)12(4)11(13)8-14-5;1-2/h6-7H,1,3,8H2,2,4-5H3;1-2H3/b7-6-;
InChIKeyMCLRXIMXQZCTHV-NAFXZHHSSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The IUPAC name of ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide (CID 144607422) is ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide.
What is the SMILES notation for ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The canonical SMILES for ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide is C=C(C)/C=C\C(=C)N(C)C(=O)COC.CC.
What is the InChIKey of ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The InChIKey is MCLRXIMXQZCTHV-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H17NO2.C2H6/c1-9(2)6-7-10(3)12(4)11(13)8-14-5;1-2/h6-7H,1,3,8H2,2,4-5H3;1-2H3/b7-6-;.
What are the key properties of ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide?
ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide has a molecular weight of 225.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide is sourced from PubChem (CID 144607422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).