N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide

C16H25NO2 — CID 89119098

IUPACN-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide
SMILESC=C/C=C\C=C/CNC(=O)C(C)(C=C(C)C)COC
InChIInChI=1S/C16H25NO2/c1-6-7-8-9-10-11-17-15(18)16(4,13-19-5)12-14(2)3/h6-10,12H,1,11,13H2,2-5H3,(H,17,18)/b8-7-,10-9-
InChIKeyJMXCJHQOPYEBTH-QRLRYFCNSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds8

About N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide

N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide (PubChem CID 89119098) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide
PubChem CID89119098
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide
SMILESC=C/C=C\C=C/CNC(=O)C(C)(C=C(C)C)COC
InChIInChI=1S/C16H25NO2/c1-6-7-8-9-10-11-17-15(18)16(4,13-19-5)12-14(2)3/h6-10,12H,1,11,13H2,2-5H3,(H,17,18)/b8-7-,10-9-
InChIKeyJMXCJHQOPYEBTH-QRLRYFCNSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide?
The IUPAC name of N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide (CID 89119098) is N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide.
What is the SMILES notation for N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide?
The canonical SMILES for N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide is C=C/C=C\C=C/CNC(=O)C(C)(C=C(C)C)COC.
What is the InChIKey of N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide?
The InChIKey is JMXCJHQOPYEBTH-QRLRYFCNSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-7-8-9-10-11-17-15(18)16(4,13-19-5)12-14(2)3/h6-10,12H,1,11,13H2,2-5H3,(H,17,18)/b8-7-,10-9-.
What are the key properties of N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide?
N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide has a molecular weight of 263.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide is sourced from PubChem (CID 89119098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).