(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide

C22H19NO3 — CID 59498038

IUPAC(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
SMILESC/C(=C\Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H19NO3/c1-17(22(24)23-18-8-4-2-5-9-18)16-25-19-12-14-21(15-13-19)26-20-10-6-3-7-11-20/h2-16H,1H3,(H,23,24)/b17-16+
InChIKeyVHBYNTZOKAJBSM-WUKNDPDISA-N
MW345.40 g/mol
LogP5.40
Rot. Bonds6

About (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide

(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide (PubChem CID 59498038) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
PubChem CID59498038
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
SMILESC/C(=C\Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H19NO3/c1-17(22(24)23-18-8-4-2-5-9-18)16-25-19-12-14-21(15-13-19)26-20-10-6-3-7-11-20/h2-16H,1H3,(H,23,24)/b17-16+
InChIKeyVHBYNTZOKAJBSM-WUKNDPDISA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide
CID 59498087
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
phenoxybenzene;N-phenylacetamide
CID 174350344
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide
CID 67542311
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide
CID 67543008
(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide
CID 70790245
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide (CID 59498038) is (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide is C/C(=C\Oc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide?
The InChIKey is VHBYNTZOKAJBSM-WUKNDPDISA-N. The full InChI is InChI=1S/C22H19NO3/c1-17(22(24)23-18-8-4-2-5-9-18)16-25-19-12-14-21(15-13-19)26-20-10-6-3-7-11-20/h2-16H,1H3,(H,23,24)/b17-16+.
What are the key properties of (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide?
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide has a molecular weight of 345.40 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide is sourced from PubChem (CID 59498038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).