N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide

C18H19NO3 — CID 166438086

IUPACN-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide
SMILESC=C(C(=O)Nc1cc(OC)cc(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3/c1-12-5-7-14(8-6-12)13(2)18(20)19-15-9-16(21-3)11-17(10-15)22-4/h5-11H,2H2,1,3-4H3,(H,19,20)
InChIKeyMZLIUQVZXGSMRA-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.66
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide

N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide (PubChem CID 166438086) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide
PubChem CID166438086
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide
SMILESC=C(C(=O)Nc1cc(OC)cc(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3/c1-12-5-7-14(8-6-12)13(2)18(20)19-15-9-16(21-3)11-17(10-15)22-4/h5-11H,2H2,1,3-4H3,(H,19,20)
InChIKeyMZLIUQVZXGSMRA-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-2-(4-methylphenyl)prop-2-enamide
CID 166438497
N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9179776
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121219
1-[3,4-dimethylidene-5-(4-methylphenyl)hexa-1,5-dien-2-yl]-4-methoxybenzene
CID 162401228
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585
2-(4-methylphenyl)prop-2-enoyl fluoride
CID 175147814
1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869562
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide (CID 166438086) is N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide is C=C(C(=O)Nc1cc(OC)cc(OC)c1)c1ccc(C)cc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide?
The InChIKey is MZLIUQVZXGSMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-5-7-14(8-6-12)13(2)18(20)19-15-9-16(21-3)11-17(10-15)22-4/h5-11H,2H2,1,3-4H3,(H,19,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide?
N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide has a molecular weight of 297.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 166438086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).