3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one

C17H17NO3 — CID 758643

IUPAC3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=CNc2ccccc2OC)cc1
InChIInChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)16(19)11-12-18-15-5-3-4-6-17(15)21-2/h3-12,18H,1-2H3
InChIKeyWIKLPVIRZXEDDI-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.51
Rot. Bonds6

About 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one

3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 758643) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID758643
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=CNc2ccccc2OC)cc1
InChIInChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)16(19)11-12-18-15-5-3-4-6-17(15)21-2/h3-12,18H,1-2H3
InChIKeyWIKLPVIRZXEDDI-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 799151
methyl 2-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 101360662
(E)-1-(4-tert-butylphenyl)-3-(2,5-dimethoxyanilino)prop-2-en-1-one
CID 139030217
1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one
CID 598063
(E)-3-(2-chloro-5-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27013706
(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 126069091
1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
CID 135086544
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346380
(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346530
3-(5-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 799053
3-(4-chloro-2-hydroxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 870858

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 758643) is 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)C=CNc2ccccc2OC)cc1.
What is the InChIKey of 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is WIKLPVIRZXEDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-14-9-7-13(8-10-14)16(19)11-12-18-15-5-3-4-6-17(15)21-2/h3-12,18H,1-2H3.
What are the key properties of 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one?
3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 283.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 758643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).