1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

C18H19N3O3 — CID 27870009

IUPAC1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H19N3O3/c1-24-16-9-3-2-8-15(16)20-18(23)19-13-6-4-7-14(12-13)21-11-5-10-17(21)22/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,23)
InChIKeyVUXGSGSEDBMDEO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 27870009) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID27870009
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H19N3O3/c1-24-16-9-3-2-8-15(16)20-18(23)19-13-6-4-7-14(12-13)21-11-5-10-17(21)22/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,23)
InChIKeyVUXGSGSEDBMDEO-UHFFFAOYSA-N
XLogP3.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-ethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679480
N'-(5-chloro-2-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 44901687
N'-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679226
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687589
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide
CID 26458989
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 27870009) is 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is COc1ccccc1NC(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is VUXGSGSEDBMDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-16-9-3-2-8-15(16)20-18(23)19-13-6-4-7-14(12-13)21-11-5-10-17(21)22/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,23).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 325.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 27870009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).