N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide

C18H19NO3 — CID 67543008

IUPACN-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide
SMILESCOc1ccc(NC(=O)C(C)=COc2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO3/c1-13-5-4-6-17(11-13)22-12-14(2)18(20)19-15-7-9-16(21-3)10-8-15/h4-12H,1-3H3,(H,19,20)
InChIKeyHSVABBXOSLUDHO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.92
Rot. Bonds5

About N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide

N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide (PubChem CID 67543008) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide
PubChem CID67543008
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide
SMILESCOc1ccc(NC(=O)C(C)=COc2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO3/c1-13-5-4-6-17(11-13)22-12-14(2)18(20)19-15-7-9-16(21-3)10-8-15/h4-12H,1-3H3,(H,19,20)
InChIKeyHSVABBXOSLUDHO-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

3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
(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
(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide
CID 59498087
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
2-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxoacetamide
CID 82123593
N-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
CID 8884397
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide (CID 67543008) is N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide is COc1ccc(NC(=O)C(C)=COc2cccc(C)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide?
The InChIKey is HSVABBXOSLUDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-5-4-6-17(11-13)22-12-14(2)18(20)19-15-7-9-16(21-3)10-8-15/h4-12H,1-3H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide?
N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)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 N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide is sourced from PubChem (CID 67543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).