N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide

C15H28N2O2 — CID 126583265

IUPACN-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide
SMILESCCC(/C=C\C(=C/CNC=O)CNC)OC(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-6-14(19-15(2,3)4)8-7-13(11-16-5)9-10-17-12-18/h7-9,12,14,16H,6,10-11H2,1-5H3,(H,17,18)/b8-7-,13-9+
InChIKeyVXLGQACNTPIOBI-XTYDYKDCSA-N
MW268.40 g/mol
LogP2.03
Rot. Bonds9

About N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide

N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide (PubChem CID 126583265) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide
PubChem CID126583265
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide
SMILESCCC(/C=C\C(=C/CNC=O)CNC)OC(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-6-14(19-15(2,3)4)8-7-13(11-16-5)9-10-17-12-18/h7-9,12,14,16H,6,10-11H2,1-5H3,(H,17,18)/b8-7-,13-9+
InChIKeyVXLGQACNTPIOBI-XTYDYKDCSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide?
The IUPAC name of N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide (CID 126583265) is N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide.
What is the SMILES notation for N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide?
The canonical SMILES for N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide is CCC(/C=C\C(=C/CNC=O)CNC)OC(C)(C)C.
What is the InChIKey of N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide?
The InChIKey is VXLGQACNTPIOBI-XTYDYKDCSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-14(19-15(2,3)4)8-7-13(11-16-5)9-10-17-12-18/h7-9,12,14,16H,6,10-11H2,1-5H3,(H,17,18)/b8-7-,13-9+.
What are the key properties of N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide?
N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide has a molecular weight of 268.40 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-(methylaminomethyl)-6-[(2-methylpropan-2-yl)oxy]octa-2,4-dienyl]formamide is sourced from PubChem (CID 126583265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).