(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide

C10H17NO2 — CID 110839216

IUPAC(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCCOC
InChIInChI=1S/C10H17NO2/c1-3-4-5-7-10(12)11-8-6-9-13-2/h3-5,7H,6,8-9H2,1-2H3,(H,11,12)/b4-3+,7-5+
InChIKeyAZKGNHZDCWTJRB-BDWKERMESA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds6

About (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide

(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide (PubChem CID 110839216) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide
PubChem CID110839216
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCCOC
InChIInChI=1S/C10H17NO2/c1-3-4-5-7-10(12)11-8-6-9-13-2/h3-5,7H,6,8-9H2,1-2H3,(H,11,12)/b4-3+,7-5+
InChIKeyAZKGNHZDCWTJRB-BDWKERMESA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide (CID 110839216) is (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCCCOC.
What is the InChIKey of (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide?
The InChIKey is AZKGNHZDCWTJRB-BDWKERMESA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-7-10(12)11-8-6-9-13-2/h3-5,7H,6,8-9H2,1-2H3,(H,11,12)/b4-3+,7-5+.
What are the key properties of (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide?
(2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(3-methoxypropyl)hexa-2,4-dienamide is sourced from PubChem (CID 110839216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).