2,4-bis(2-anilinophenyl)pentan-3-one

C29H28N2O — CID 150203420

IUPAC2,4-bis(2-anilinophenyl)pentan-3-one
SMILESCC(C(=O)C(C)c1ccccc1Nc1ccccc1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C29H28N2O/c1-21(25-17-9-11-19-27(25)30-23-13-5-3-6-14-23)29(32)22(2)26-18-10-12-20-28(26)31-24-15-7-4-8-16-24/h3-22,30-31H,1-2H3
InChIKeyFPYVKXMQDYGJSC-UHFFFAOYSA-N
MW420.56 g/mol
LogP7.65
Rot. Bonds8

About 2,4-bis(2-anilinophenyl)pentan-3-one

2,4-bis(2-anilinophenyl)pentan-3-one (PubChem CID 150203420) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 2,4-bis(2-anilinophenyl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(2-anilinophenyl)pentan-3-one
PubChem CID150203420
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name2,4-bis(2-anilinophenyl)pentan-3-one
SMILESCC(C(=O)C(C)c1ccccc1Nc1ccccc1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C29H28N2O/c1-21(25-17-9-11-19-27(25)30-23-13-5-3-6-14-23)29(32)22(2)26-18-10-12-20-28(26)31-24-15-7-4-8-16-24/h3-22,30-31H,1-2H3
InChIKeyFPYVKXMQDYGJSC-UHFFFAOYSA-N
XLogP7.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-bis(2-anilinophenyl)pentan-3-one 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

2,4-bis(2-anilino-3-pyridinyl)pentan-3-one
CID 152517216
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
N-phenyl-2-(1-phenylethyl)aniline
CID 59839557
2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
CID 144714083
ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
CID 144714082
bis(2-anilinophenyl)methanone
CID 141301141
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
1-(2-anilinophenyl)-3-sulfanylpropane-1,2-diol
CID 170820856
N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420
3-(2-anilinophenyl)-2,4-dimethylpentan-3-ol
CID 53253806
N-(5-acetamido-2,4-dianilinophenyl)acetamide
CID 23026476

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-anilinophenyl)pentan-3-one?
The IUPAC name of 2,4-bis(2-anilinophenyl)pentan-3-one (CID 150203420) is 2,4-bis(2-anilinophenyl)pentan-3-one.
What is the SMILES notation for 2,4-bis(2-anilinophenyl)pentan-3-one?
The canonical SMILES for 2,4-bis(2-anilinophenyl)pentan-3-one is CC(C(=O)C(C)c1ccccc1Nc1ccccc1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2,4-bis(2-anilinophenyl)pentan-3-one?
The InChIKey is FPYVKXMQDYGJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O/c1-21(25-17-9-11-19-27(25)30-23-13-5-3-6-14-23)29(32)22(2)26-18-10-12-20-28(26)31-24-15-7-4-8-16-24/h3-22,30-31H,1-2H3.
What are the key properties of 2,4-bis(2-anilinophenyl)pentan-3-one?
2,4-bis(2-anilinophenyl)pentan-3-one has a molecular weight of 420.56 g/mol, XLogP of 7.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-anilinophenyl)pentan-3-one is sourced from PubChem (CID 150203420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).