1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea

C20H23N3O4 — CID 16919922

IUPAC1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-9-8-15(11-18(17)27-2)22-20(25)21-12-14-10-19(24)23(13-14)16-6-4-3-5-7-16/h3-9,11,14H,10,12-13H2,1-2H3,(H2,21,22,25)
InChIKeyJIKHBTNXEIHHBO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.88
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea

1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea (PubChem CID 16919922) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
PubChem CID16919922
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-9-8-15(11-18(17)27-2)22-20(25)21-12-14-10-19(24)23(13-14)16-6-4-3-5-7-16/h3-9,11,14H,10,12-13H2,1-2H3,(H2,21,22,25)
InChIKeyJIKHBTNXEIHHBO-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913389
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
1-(3,4-dimethoxyphenyl)-3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920030
2-(2-methoxyphenoxy)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 16918272
1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
CID 40912872
1-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 40913025
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2,6-dimethoxyphenyl)urea
CID 16920167
1-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 16920029
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
1-[(3,4-dimethoxyphenyl)methyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920106
1-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2,4-dimethoxyphenyl)urea
CID 40913293

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea (CID 16919922) is 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea is COc1ccc(NC(=O)NCC2CC(=O)N(c3ccccc3)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea?
The InChIKey is JIKHBTNXEIHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-9-8-15(11-18(17)27-2)22-20(25)21-12-14-10-19(24)23(13-14)16-6-4-3-5-7-16/h3-9,11,14H,10,12-13H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea has a molecular weight of 369.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 16919922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).