phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate

C20H20N2O4 — CID 10338077

IUPACphenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)CN1C(=O)CCC1=O)Oc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18-11-12-19(24)22(18)14-16(13-15-7-3-1-4-8-15)21-20(25)26-17-9-5-2-6-10-17/h1-10,16H,11-14H2,(H,21,25)
InChIKeyJYCXOKYCHMRMEF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.54
Rot. Bonds6

About phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate

phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate (PubChem CID 10338077) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate
PubChem CID10338077
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namephenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)CN1C(=O)CCC1=O)Oc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-18-11-12-19(24)22(18)14-16(13-15-7-3-1-4-8-15)21-20(25)26-17-9-5-2-6-10-17/h1-10,16H,11-14H2,(H,21,25)
InChIKeyJYCXOKYCHMRMEF-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate 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 phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate?
The IUPAC name of phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate (CID 10338077) is phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate is O=C(NC(Cc1ccccc1)CN1C(=O)CCC1=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate?
The InChIKey is JYCXOKYCHMRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18-11-12-19(24)22(18)14-16(13-15-7-3-1-4-8-15)21-20(25)26-17-9-5-2-6-10-17/h1-10,16H,11-14H2,(H,21,25).
What are the key properties of phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate?
phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 10338077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).