N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide

C16H23NO2 — CID 139520080

IUPACN-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide
SMILESC=C/C=C(OC=C)/C(C)=C/CCN(CC)C(=O)C=C
InChIInChI=1S/C16H23NO2/c1-6-11-15(19-9-4)14(5)12-10-13-17(8-3)16(18)7-2/h6-7,9,11-12H,1-2,4,8,10,13H2,3,5H3/b14-12+,15-11-
InChIKeyUUNKHDIOMQWKPA-BASNAROOSA-N
MW261.37 g/mol
LogP3.59
Rot. Bonds9

About N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide

N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide (PubChem CID 139520080) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide
PubChem CID139520080
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide
SMILESC=C/C=C(OC=C)/C(C)=C/CCN(CC)C(=O)C=C
InChIInChI=1S/C16H23NO2/c1-6-11-15(19-9-4)14(5)12-10-13-17(8-3)16(18)7-2/h6-7,9,11-12H,1-2,4,8,10,13H2,3,5H3/b14-12+,15-11-
InChIKeyUUNKHDIOMQWKPA-BASNAROOSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide?
The IUPAC name of N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide (CID 139520080) is N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide.
What is the SMILES notation for N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide?
The canonical SMILES for N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide is C=C/C=C(OC=C)/C(C)=C/CCN(CC)C(=O)C=C.
What is the InChIKey of N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide?
The InChIKey is UUNKHDIOMQWKPA-BASNAROOSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-11-15(19-9-4)14(5)12-10-13-17(8-3)16(18)7-2/h6-7,9,11-12H,1-2,4,8,10,13H2,3,5H3/b14-12+,15-11-.
What are the key properties of N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide?
N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-5-ethenoxy-4-methylocta-3,5,7-trienyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 139520080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).