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

C20H23N3O4 — CID 71838900

IUPAC1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)NC2CCN(c3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C20H23N3O4/c1-13-4-6-14(7-5-13)23-11-10-16(19(23)24)21-20(25)22-17-12-15(26-2)8-9-18(17)27-3/h4-9,12,16H,10-11H2,1-3H3,(H2,21,22,25)
InChIKeyVPLNJWXOADMDKW-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.94
Rot. Bonds5

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

1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 71838900) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID71838900
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)NC2CCN(c3ccc(C)cc3)C2=O)c1
InChIInChI=1S/C20H23N3O4/c1-13-4-6-14(7-5-13)23-11-10-16(19(23)24)21-20(25)22-17-12-15(26-2)8-9-18(17)27-3/h4-9,12,16H,10-11H2,1-3H3,(H2,21,22,25)
InChIKeyVPLNJWXOADMDKW-UHFFFAOYSA-N
XLogP2.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 71838764
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 43970491
N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2957595
(3R)-N-(2,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 2211440
1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7552547
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969476
1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838784

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea (CID 71838900) is 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea is COc1ccc(OC)c(NC(=O)NC2CCN(c3ccc(C)cc3)C2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is VPLNJWXOADMDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-4-6-14(7-5-13)23-11-10-16(19(23)24)21-20(25)22-17-12-15(26-2)8-9-18(17)27-3/h4-9,12,16H,10-11H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 369.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 71838900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).