ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide

C18H34N2O2 — CID 142928964

IUPACethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide
SMILESC/C=C\C(=C/C=C(\C)OC)NCCN(CCC)C(C)=O.CC
InChIInChI=1S/C16H28N2O2.C2H6/c1-6-8-16(10-9-14(3)20-5)17-11-13-18(12-7-2)15(4)19;1-2/h6,8-10,17H,7,11-13H2,1-5H3;1-2H3/b8-6-,14-9+,16-10+;
InChIKeyLANPDIPQXDQIRL-OJOBPELISA-N
MW310.48 g/mol
LogP3.87
Rot. Bonds9

About ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide

ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide (PubChem CID 142928964) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide.

Molecular Properties

Compound Nameethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide
PubChem CID142928964
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nameethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide
SMILESC/C=C\C(=C/C=C(\C)OC)NCCN(CCC)C(C)=O.CC
InChIInChI=1S/C16H28N2O2.C2H6/c1-6-8-16(10-9-14(3)20-5)17-11-13-18(12-7-2)15(4)19;1-2/h6,8-10,17H,7,11-13H2,1-5H3;1-2H3/b8-6-,14-9+,16-10+;
InChIKeyLANPDIPQXDQIRL-OJOBPELISA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide?
The IUPAC name of ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide (CID 142928964) is ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide.
What is the SMILES notation for ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide?
The canonical SMILES for ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide is C/C=C\C(=C/C=C(\C)OC)NCCN(CCC)C(C)=O.CC.
What is the InChIKey of ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide?
The InChIKey is LANPDIPQXDQIRL-OJOBPELISA-N. The full InChI is InChI=1S/C16H28N2O2.C2H6/c1-6-8-16(10-9-14(3)20-5)17-11-13-18(12-7-2)15(4)19;1-2/h6,8-10,17H,7,11-13H2,1-5H3;1-2H3/b8-6-,14-9+,16-10+;.
What are the key properties of ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide?
ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide has a molecular weight of 310.48 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[[(2Z,4E,6E)-7-methoxyocta-2,4,6-trien-4-yl]amino]ethyl]-N-propylacetamide is sourced from PubChem (CID 142928964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).