2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide

C13H22N2O2 — CID 167152693

IUPAC2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide
SMILESC=C(/C=C\C(=C/C)CNC)CNC(=O)COC
InChIInChI=1S/C13H22N2O2/c1-5-12(9-14-3)7-6-11(2)8-15-13(16)10-17-4/h5-7,14H,2,8-10H2,1,3-4H3,(H,15,16)/b7-6-,12-5+
InChIKeyBVORSSSCLCETBV-BZNMCICSSA-N
MW238.33 g/mol
LogP1.03
Rot. Bonds8

About 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide

2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide (PubChem CID 167152693) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide
PubChem CID167152693
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide
SMILESC=C(/C=C\C(=C/C)CNC)CNC(=O)COC
InChIInChI=1S/C13H22N2O2/c1-5-12(9-14-3)7-6-11(2)8-15-13(16)10-17-4/h5-7,14H,2,8-10H2,1,3-4H3,(H,15,16)/b7-6-,12-5+
InChIKeyBVORSSSCLCETBV-BZNMCICSSA-N
XLogP1.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide?
The IUPAC name of 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide (CID 167152693) is 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide is C=C(/C=C\C(=C/C)CNC)CNC(=O)COC.
What is the InChIKey of 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide?
The InChIKey is BVORSSSCLCETBV-BZNMCICSSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-12(9-14-3)7-6-11(2)8-15-13(16)10-17-4/h5-7,14H,2,8-10H2,1,3-4H3,(H,15,16)/b7-6-,12-5+.
What are the key properties of 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide?
2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide is sourced from PubChem (CID 167152693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).