3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide

C18H19NO3 — CID 67543829

IUPAC3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(OC=C(C)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13-4-6-15(7-5-13)19-18(20)14(2)12-22-17-10-8-16(21-3)9-11-17/h4-12H,1-3H3,(H,19,20)
InChIKeyXMHMMMRHSPSEBL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.92
Rot. Bonds5

About 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide

3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide (PubChem CID 67543829) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
PubChem CID67543829
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(OC=C(C)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-13-4-6-15(7-5-13)19-18(20)14(2)12-22-17-10-8-16(21-3)9-11-17/h4-12H,1-3H3,(H,19,20)
InChIKeyXMHMMMRHSPSEBL-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.92
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

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
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide
CID 59498383
(2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide
CID 67545040
2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
CID 88971335
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate
CID 56840073

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide (CID 67543829) is 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide is COc1ccc(OC=C(C)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is XMHMMMRHSPSEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-4-6-15(7-5-13)19-18(20)14(2)12-22-17-10-8-16(21-3)9-11-17/h4-12H,1-3H3,(H,19,20).
What are the key properties of 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide?
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 297.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 67543829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).