N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide

C18H28N2O — CID 144519506

IUPACN-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide
SMILESC=C/C(=C\C(=C)/C(C)=C/C=N/CC)CN(C(C)=O)C(C)C
InChIInChI=1S/C18H28N2O/c1-8-18(13-20(14(3)4)17(7)21)12-16(6)15(5)10-11-19-9-2/h8,10-12,14H,1,6,9,13H2,2-5,7H3/b15-10+,18-12+,19-11+
InChIKeyUMAFXDZTDSVVBK-QVINVJKISA-N
MW288.44 g/mol
LogP3.95
Rot. Bonds8

About N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide

N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide (PubChem CID 144519506) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide
PubChem CID144519506
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide
SMILESC=C/C(=C\C(=C)/C(C)=C/C=N/CC)CN(C(C)=O)C(C)C
InChIInChI=1S/C18H28N2O/c1-8-18(13-20(14(3)4)17(7)21)12-16(6)15(5)10-11-19-9-2/h8,10-12,14H,1,6,9,13H2,2-5,7H3/b15-10+,18-12+,19-11+
InChIKeyUMAFXDZTDSVVBK-QVINVJKISA-N
XLogP3.95
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide (CID 144519506) is N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide is C=C/C(=C\C(=C)/C(C)=C/C=N/CC)CN(C(C)=O)C(C)C.
What is the InChIKey of N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide?
The InChIKey is UMAFXDZTDSVVBK-QVINVJKISA-N. The full InChI is InChI=1S/C18H28N2O/c1-8-18(13-20(14(3)4)17(7)21)12-16(6)15(5)10-11-19-9-2/h8,10-12,14H,1,6,9,13H2,2-5,7H3/b15-10+,18-12+,19-11+.
What are the key properties of N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide?
N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide has a molecular weight of 288.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,5E)-2-ethenyl-7-ethylimino-5-methyl-4-methylidenehepta-2,5-dienyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 144519506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).