2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione

C23H21NO3 — CID 11760150

IUPAC2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione
SMILESCOc1ccccc1NC(CC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-27-22-15-9-8-14-19(22)24-20(23(26)18-12-6-3-7-13-18)16-21(25)17-10-4-2-5-11-17/h2-15,20,24H,16H2,1H3
InChIKeyJWTJZLNDLQIWRL-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.63
Rot. Bonds8

About 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione

2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione (PubChem CID 11760150) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione.

Molecular Properties

Compound Name2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione
PubChem CID11760150
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione
SMILESCOc1ccccc1NC(CC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-27-22-15-9-8-14-19(22)24-20(23(26)18-12-6-3-7-13-18)16-21(25)17-10-4-2-5-11-17/h2-15,20,24H,16H2,1H3
InChIKeyJWTJZLNDLQIWRL-UHFFFAOYSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxyanilino)-4-oxo-4-phenylbutanoic acid
CID 1088578
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-(2-methoxyanilino)-4-oxo-4-phenylbutanoate
CID 41039159
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538
methyl 2-hydrazinyl-4-oxo-4-phenylbutanoate
CID 174431465
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione?
The IUPAC name of 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione (CID 11760150) is 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione.
What is the SMILES notation for 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione?
The canonical SMILES for 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione is COc1ccccc1NC(CC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione?
The InChIKey is JWTJZLNDLQIWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-27-22-15-9-8-14-19(22)24-20(23(26)18-12-6-3-7-13-18)16-21(25)17-10-4-2-5-11-17/h2-15,20,24H,16H2,1H3.
What are the key properties of 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione?
2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione has a molecular weight of 359.43 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione is sourced from PubChem (CID 11760150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).