3-(4-methoxyanilino)-1-phenylpent-2-en-1-one

C18H19NO2 — CID 3777683

IUPAC3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
SMILESCCC(=CC(=O)c1ccccc1)Nc1ccc(OC)cc1
InChIInChI=1S/C18H19NO2/c1-3-15(13-18(20)14-7-5-4-6-8-14)19-16-9-11-17(21-2)12-10-16/h4-13,19H,3H2,1-2H3
InChIKeyLEQJIQPDZIAGQC-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.28
Rot. Bonds6

About 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one

3-(4-methoxyanilino)-1-phenylpent-2-en-1-one (PubChem CID 3777683) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
PubChem CID3777683
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
SMILESCCC(=CC(=O)c1ccccc1)Nc1ccc(OC)cc1
InChIInChI=1S/C18H19NO2/c1-3-15(13-18(20)14-7-5-4-6-8-14)19-16-9-11-17(21-2)12-10-16/h4-13,19H,3H2,1-2H3
InChIKeyLEQJIQPDZIAGQC-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.28
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

(Z)-1-(4-bromophenyl)-3-(4-methoxyanilino)pent-2-en-1-one
CID 5438972
2-(4-methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 619819
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 4672353
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 2917325
ethyl (Z)-3-(4-methoxyanilino)-4-oxo-4-phenylbut-2-enoate
CID 118156749
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(Z)-3-(4-hydroxyanilino)-1-pyridin-4-ylpent-2-en-1-one
CID 5346383
(Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide
CID 110167930
3-(4-chloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 799198
1-(4-chlorophenyl)-3-(4-methoxyanilino)but-2-en-1-one
CID 799452

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one?
The IUPAC name of 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one (CID 3777683) is 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one.
What is the SMILES notation for 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one?
The canonical SMILES for 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one is CCC(=CC(=O)c1ccccc1)Nc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one?
The InChIKey is LEQJIQPDZIAGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-15(13-18(20)14-7-5-4-6-8-14)19-16-9-11-17(21-2)12-10-16/h4-13,19H,3H2,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one?
3-(4-methoxyanilino)-1-phenylpent-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-1-phenylpent-2-en-1-one is sourced from PubChem (CID 3777683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).