3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one

C18H19NO — CID 2291468

IUPAC3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one
SMILESC=C(CC(=O)c1ccc(C)cc1)Nc1ccccc1C
InChIInChI=1S/C18H19NO/c1-13-8-10-16(11-9-13)18(20)12-15(3)19-17-7-5-4-6-14(17)2/h4-11,19H,3,12H2,1-2H3
InChIKeyLPQMNLSHWRCYHU-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.50
Rot. Bonds5

About 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one

3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one (PubChem CID 2291468) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one.

Molecular Properties

Compound Name3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one
PubChem CID2291468
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one
SMILESC=C(CC(=O)c1ccc(C)cc1)Nc1ccccc1C
InChIInChI=1S/C18H19NO/c1-13-8-10-16(11-9-13)18(20)12-15(3)19-17-7-5-4-6-14(17)2/h4-11,19H,3,12H2,1-2H3
InChIKeyLPQMNLSHWRCYHU-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-N-(2-methylphenyl)benzamide
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3-(2-chloro-5-methylanilino)-1-phenylbut-3-en-1-one
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3-(2-fluoroanilino)-1-phenylbut-3-en-1-one
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N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 5003132
2-(2-methylanilino)prop-2-enoic acid
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ethyl 4-[[4-(4-methylphenyl)-4-oxobut-1-en-2-yl]amino]benzoate
CID 2291713
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
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2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide
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(2-methylphenyl)urea;phosphane
CID 175888509

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one?
The IUPAC name of 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one (CID 2291468) is 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one.
What is the SMILES notation for 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one?
The canonical SMILES for 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one is C=C(CC(=O)c1ccc(C)cc1)Nc1ccccc1C.
What is the InChIKey of 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one?
The InChIKey is LPQMNLSHWRCYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-8-10-16(11-9-13)18(20)12-15(3)19-17-7-5-4-6-14(17)2/h4-11,19H,3,12H2,1-2H3.
What are the key properties of 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one?
3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one has a molecular weight of 265.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one is sourced from PubChem (CID 2291468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).