(2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide

C21H22N2O4 — CID 60536120

IUPAC(2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C21H22N2O4/c1-3-4-5-13-20(24)22-16-9-8-10-17(14-16)23-21(25)15-27-19-12-7-6-11-18(19)26-2/h3-14H,15H2,1-2H3,(H,22,24)(H,23,25)/b4-3+,13-5+
InChIKeyAGIWSYBDRIRGIE-HJSZHNSDSA-N
MW366.42 g/mol
LogP3.78
Rot. Bonds8

About (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide

(2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide (PubChem CID 60536120) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide
PubChem CID60536120
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C21H22N2O4/c1-3-4-5-13-20(24)22-16-9-8-10-17(14-16)23-21(25)15-27-19-12-7-6-11-18(19)26-2/h3-14H,15H2,1-2H3,(H,22,24)(H,23,25)/b4-3+,13-5+
InChIKeyAGIWSYBDRIRGIE-HJSZHNSDSA-N
XLogP3.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-3-(5-chloro-2-methoxyphenyl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide
CID 55887226
(E)-3-(1,3-benzothiazol-2-yl)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]prop-2-enamide
CID 55888506
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-(4-methylphenyl)propanamide
CID 60535941
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 46761828
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 55865426
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119298259

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide (CID 60536120) is (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1.
What is the InChIKey of (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide?
The InChIKey is AGIWSYBDRIRGIE-HJSZHNSDSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-4-5-13-20(24)22-16-9-8-10-17(14-16)23-21(25)15-27-19-12-7-6-11-18(19)26-2/h3-14H,15H2,1-2H3,(H,22,24)(H,23,25)/b4-3+,13-5+.
What are the key properties of (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide has a molecular weight of 366.42 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 60536120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).