[4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate

C24H21NO4 — CID 1369526

IUPAC[4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C24H21NO4/c1-15-7-8-20(13-16(15)2)23(27)19-5-4-6-21(14-19)25-24(28)18-9-11-22(12-10-18)29-17(3)26/h4-14H,1-3H3,(H,25,28)
InChIKeyGWVXJTDIDQMXKZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.71
Rot. Bonds5

About [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate

[4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 1369526) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate
PubChem CID1369526
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C24H21NO4/c1-15-7-8-20(13-16(15)2)23(27)19-5-4-6-21(14-19)25-24(28)18-9-11-22(12-10-18)29-17(3)26/h4-14H,1-3H3,(H,25,28)
InChIKeyGWVXJTDIDQMXKZ-UHFFFAOYSA-N
XLogP4.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate (CID 1369526) is [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is GWVXJTDIDQMXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-15-7-8-20(13-16(15)2)23(27)19-5-4-6-21(14-19)25-24(28)18-9-11-22(12-10-18)29-17(3)26/h4-14H,1-3H3,(H,25,28).
What are the key properties of [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate?
[4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 387.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3,4-dimethylbenzoyl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 1369526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).