1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea

C21H25N3O4 — CID 18572772

IUPAC1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESCOc1ccc(N2CC(NC(=O)NCCc3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-9-8-17(13-19(18)28-2)24-14-16(12-20(24)25)23-21(26)22-11-10-15-6-4-3-5-7-15/h3-9,13,16H,10-12,14H2,1-2H3,(H2,22,23,26)
InChIKeyOGKPSWZPGVIUDV-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.35
Rot. Bonds7

About 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea

1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (PubChem CID 18572772) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
PubChem CID18572772
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESCOc1ccc(N2CC(NC(=O)NCCc3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-9-8-17(13-19(18)28-2)24-14-16(12-20(24)25)23-21(26)22-11-10-15-6-4-3-5-7-15/h3-9,13,16H,10-12,14H2,1-2H3,(H2,22,23,26)
InChIKeyOGKPSWZPGVIUDV-UHFFFAOYSA-N
XLogP2.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea 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

1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 7215297
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 7552478
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544271
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-ethylurea
CID 43970655
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547252
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
1-(2,2-dimethoxyethyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244411
3-[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propyl-dipropylazanium
CID 7552586
1-benzyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7552374
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(dipropylamino)propyl]urea
CID 43970732
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 7215734
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea
CID 7244481

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (CID 18572772) is 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is COc1ccc(N2CC(NC(=O)NCCc3ccccc3)CC2=O)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The InChIKey is OGKPSWZPGVIUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-9-8-17(13-19(18)28-2)24-14-16(12-20(24)25)23-21(26)22-11-10-15-6-4-3-5-7-15/h3-9,13,16H,10-12,14H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea has a molecular weight of 383.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 18572772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).