[4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate

C31H28N2O5 — CID 108931139

IUPAC[4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H28N2O5/c1-2-37-31(36)38-27-19-15-25(16-20-27)29(34)32-21-22-13-17-26(18-14-22)33-30(35)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,28H,2,21H2,1H3,(H,32,34)(H,33,35)
InChIKeyMOONYWPOLUXJII-UHFFFAOYSA-N
MW508.57 g/mol
LogP5.92
Rot. Bonds9

About [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate

[4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate (PubChem CID 108931139) has the molecular formula C31H28N2O5 and a molecular weight of 508.57 g/mol. Its IUPAC name is [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
PubChem CID108931139
Molecular FormulaC31H28N2O5
Molecular Weight508.57 g/mol
Exact Mass508.20
IUPAC Name[4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H28N2O5/c1-2-37-31(36)38-27-19-15-25(16-20-27)29(34)32-21-22-13-17-26(18-14-22)33-30(35)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,28H,2,21H2,1H3,(H,32,34)(H,33,35)
InChIKeyMOONYWPOLUXJII-UHFFFAOYSA-N
XLogP5.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate 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-ethoxycarbonyloxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931116
[4-[[4-[(2-chlorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931169
N-benzyl-4-[(2,2-diphenylacetyl)amino]benzamide
CID 22449907
[4-[[4-[(2-bromobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931153
[4-[[4-[(3,5-dihydroxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931347
[4-[[4-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931190
ethyl [4-[[4-[(2-methoxyacetyl)amino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931327
[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
CID 108932051
[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931397
[4-[[4-[(2-cyclopentylideneacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931479
[4-[[4-[(3H-benzimidazole-5-carbonylamino)methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931266
ethyl [4-[[4-[3-(4-fluorophenyl)propanoylamino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931413

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate (CID 108931139) is [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate?
The InChIKey is MOONYWPOLUXJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O5/c1-2-37-31(36)38-27-19-15-25(16-20-27)29(34)32-21-22-13-17-26(18-14-22)33-30(35)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,28H,2,21H2,1H3,(H,32,34)(H,33,35).
What are the key properties of [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate?
[4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate has a molecular weight of 508.57 g/mol, XLogP of 5.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(2,2-diphenylacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108931139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).