1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C18H19N3O3 — CID 7513461

IUPAC1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H19N3O3/c1-24-16-10-6-5-9-15(16)20-18(23)19-13-11-17(22)21(12-13)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyNONWDLHOYDRPLF-CYBMUJFWSA-N
MW325.37 g/mol
LogP2.62
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7513461) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7513461
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H19N3O3/c1-24-16-10-6-5-9-15(16)20-18(23)19-13-11-17(22)21(12-13)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyNONWDLHOYDRPLF-CYBMUJFWSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7513461) is 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is COc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is NONWDLHOYDRPLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-16-10-6-5-9-15(16)20-18(23)19-13-11-17(22)21(12-13)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,19,20,23)/t13-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 325.37 g/mol, XLogP of 2.62, 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-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7513461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).