(2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate

C20H19N3O5 — CID 10833698

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H19N3O5/c1-13-4-2-3-5-16(13)22-20(27)21-15-8-6-14(7-9-15)12-19(26)28-23-17(24)10-11-18(23)25/h2-9H,10-12H2,1H3,(H2,21,22,27)
InChIKeyHEBKZEZTMKRNGO-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.79
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate (PubChem CID 10833698) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate
PubChem CID10833698
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H19N3O5/c1-13-4-2-3-5-16(13)22-20(27)21-15-8-6-14(7-9-15)12-19(26)28-23-17(24)10-11-18(23)25/h2-9H,10-12H2,1H3,(H2,21,22,27)
InChIKeyHEBKZEZTMKRNGO-UHFFFAOYSA-N
XLogP2.79
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]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

Related Compounds

(3R)-3-{4-[2-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]phenyl}butanoic acid
CID 23647523
3-(4-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}-phenyl)-butyric acid
CID 10388816
4-((((2-Methylphenyl)amino)carbonyl)amino)benzeneacetic acid
CID 6605254
3-(3-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}-phenyl)-propionic acid
CID 10960989
ethyl (4-{[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamamido}phenyl)acetate
CID 16029886
2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetic acid
CID 57394181
2-[4-[(6-Anilino-6-oxohexanoyl)amino]phenyl]acetic acid
CID 137657579
[4-({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)phenyl]acetic acid
CID 17255620
4-[(2-Methylphenyl)ureido]-2,3-difluorophenylacetic acid
CID 23511749
4-[(2-Methylphenyl)ureido]-2,5-difluorophenylacetic acid
CID 23511904
ethyl 4-[N'-(2-trifluoromethylphenyl)ureido]phenylacetate
CID 23511916
2-Fluoro-2-[3-fluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
CID 23512043

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate (CID 10833698) is (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate is Cc1ccccc1NC(=O)Nc1ccc(CC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate?
The InChIKey is HEBKZEZTMKRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-13-4-2-3-5-16(13)22-20(27)21-15-8-6-14(7-9-15)12-19(26)28-23-17(24)10-11-18(23)25/h2-9H,10-12H2,1H3,(H2,21,22,27).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate has a molecular weight of 381.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetate is sourced from PubChem (CID 10833698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).