[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate

C24H23NO3 — CID 59734862

IUPAC[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate
SMILESCCC(=O)C(=O)Oc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-4-23(26)24(27)28-22-15-13-21(14-16-22)25(19-9-5-17(2)6-10-19)20-11-7-18(3)8-12-20/h5-16H,4H2,1-3H3
InChIKeyQLOZYWTYTNGKAP-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.66
Rot. Bonds6

About [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate

[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate (PubChem CID 59734862) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate.

Molecular Properties

Compound Name[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate
PubChem CID59734862
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate
SMILESCCC(=O)C(=O)Oc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO3/c1-4-23(26)24(27)28-22-15-13-21(14-16-22)25(19-9-5-17(2)6-10-19)20-11-7-18(3)8-12-20/h5-16H,4H2,1-3H3
InChIKeyQLOZYWTYTNGKAP-UHFFFAOYSA-N
XLogP5.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(4-methyl-N-[4-[5-[4-(4-methyl-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58520185
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800614
bis(4-methylphenyl) butanedioate
CID 14740597
[4-(4-methyl-N-[4-[[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]methoxymethyl]phenyl]anilino)phenyl] prop-2-enoate
CID 22089867
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl] 2-methylprop-2-enoate
CID 59832655
[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl] propanoate
CID 58814424
[4-[N-[4-[4-methyl-2-[4-[4-(4-methylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(4-methylphenyl)anilino]phenyl] 2-methylprop-2-enoate
CID 58205425
[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58701296
bis(4-methylphenyl) hexanedioate
CID 521615
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
diethyl (2Z,3Z)-2,3-bis[chloro-(4-methylphenoxy)methylidene]butanedioate
CID 11317579

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate?
The IUPAC name of [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate (CID 59734862) is [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate.
What is the SMILES notation for [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate?
The canonical SMILES for [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate is CCC(=O)C(=O)Oc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate?
The InChIKey is QLOZYWTYTNGKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-4-23(26)24(27)28-22-15-13-21(14-16-22)25(19-9-5-17(2)6-10-19)20-11-7-18(3)8-12-20/h5-16H,4H2,1-3H3.
What are the key properties of [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate?
[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate has a molecular weight of 373.45 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl] 2-oxobutanoate is sourced from PubChem (CID 59734862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).