1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone

C32H32N2O3 — CID 149305974

IUPAC1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2ccc(Oc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H32N2O3/c1-33(2)27-13-9-25(10-14-27)31(35)21-23-5-17-29(18-6-23)37-30-19-7-24(8-20-30)22-32(36)26-11-15-28(16-12-26)34(3)4/h5-20H,21-22H2,1-4H3
InChIKeyXXRGXQXFVIKGBA-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.46
Rot. Bonds10

About 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone

1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone (PubChem CID 149305974) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
PubChem CID149305974
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2ccc(Oc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H32N2O3/c1-33(2)27-13-9-25(10-14-27)31(35)21-23-5-17-29(18-6-23)37-30-19-7-24(8-20-30)22-32(36)26-11-15-28(16-12-26)34(3)4/h5-20H,21-22H2,1-4H3
InChIKeyXXRGXQXFVIKGBA-UHFFFAOYSA-N
XLogP6.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone 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-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone
CID 68953241
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346667
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009322
[4-(dimethylamino)phenyl] acetate
CID 586356

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone (CID 149305974) is 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone is CN(C)c1ccc(C(=O)Cc2ccc(Oc3ccc(CC(=O)c4ccc(N(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone?
The InChIKey is XXRGXQXFVIKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-33(2)27-13-9-25(10-14-27)31(35)21-23-5-17-29(18-6-23)37-30-19-7-24(8-20-30)22-32(36)26-11-15-28(16-12-26)34(3)4/h5-20H,21-22H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone?
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone has a molecular weight of 492.62 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone is sourced from PubChem (CID 149305974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).