1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea

C20H23N3O3 — CID 40912872

IUPAC1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
SMILESCOc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(C)c3)CC2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-14-4-3-5-16(10-14)22-20(25)21-12-15-11-19(24)23(13-15)17-6-8-18(26-2)9-7-17/h3-10,15H,11-13H2,1-2H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyKPODIFPLARANJL-OAHLLOKOSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds5

About 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea

1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea (PubChem CID 40912872) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
PubChem CID40912872
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
SMILESCOc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(C)c3)CC2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-14-4-3-5-16(10-14)22-20(25)21-12-15-11-19(24)23(13-15)17-6-8-18(26-2)9-7-17/h3-10,15H,11-13H2,1-2H3,(H2,21,22,25)/t15-/m1/s1
InChIKeyKPODIFPLARANJL-OAHLLOKOSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
1-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 40913025
1-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)urea
CID 16920029
1-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913389
1-[[(3R)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
CID 40913484
1-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16920004
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193
1-(3,4-dimethoxyphenyl)-3-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920030
1-(3,4-dimethoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919922
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
1-[2-(4-methoxyphenyl)ethyl]-3-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16919999

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea (CID 40912872) is 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea is COc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(C)c3)CC2=O)cc1.
What is the InChIKey of 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea?
The InChIKey is KPODIFPLARANJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-4-3-5-16(10-14)22-20(25)21-12-15-11-19(24)23(13-15)17-6-8-18(26-2)9-7-17/h3-10,15H,11-13H2,1-2H3,(H2,21,22,25)/t15-/m1/s1.
What are the key properties of 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea?
1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea has a molecular weight of 353.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 40912872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).