(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide

C13H15NO2 — CID 17358788

IUPAC(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccccc1OC
InChIInChI=1S/C13H15NO2/c1-3-4-5-10-13(15)14-11-8-6-7-9-12(11)16-2/h3-10H,1-2H3,(H,14,15)/b4-3+,10-5+
InChIKeyBMSFDRIZZKRSBD-COBAKMAKSA-N
MW217.27 g/mol
LogP2.77
Rot. Bonds4

About (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide

(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide (PubChem CID 17358788) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
PubChem CID17358788
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccccc1OC
InChIInChI=1S/C13H15NO2/c1-3-4-5-10-13(15)14-11-8-6-7-9-12(11)16-2/h3-10H,1-2H3,(H,14,15)/b4-3+,10-5+
InChIKeyBMSFDRIZZKRSBD-COBAKMAKSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
CID 33068846
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837
2-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]phenoxy]acetic acid
CID 55242457
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 72688712
N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
2-[2-(hexa-2,4-dienoylamino)phenyl]acetic acid
CID 76946219
(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 9439076
(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
CID 9453588
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide
CID 26664579
2-imino-N-(2-methoxyphenyl)acetamide
CID 145295181
(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide
CID 11436192

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide (CID 17358788) is (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccccc1OC.
What is the InChIKey of (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide?
The InChIKey is BMSFDRIZZKRSBD-COBAKMAKSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-4-5-10-13(15)14-11-8-6-7-9-12(11)16-2/h3-10H,1-2H3,(H,14,15)/b4-3+,10-5+.
What are the key properties of (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide has a molecular weight of 217.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 17358788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).