3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea

C20H23N3O2 — CID 95630430

IUPAC3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCc1cccc(C)c1NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H23N3O2/c1-14-8-7-9-15(2)18(14)21-20(25)22(3)17-12-13-23(19(17)24)16-10-5-4-6-11-16/h4-11,17H,12-13H2,1-3H3,(H,21,25)/t17-/m1/s1
InChIKeyQMJWZGKGJVTMAP-QGZVFWFLSA-N
MW337.42 g/mol
LogP3.57
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea

3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 95630430) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID95630430
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCc1cccc(C)c1NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H23N3O2/c1-14-8-7-9-15(2)18(14)21-20(25)22(3)17-12-13-23(19(17)24)16-10-5-4-6-11-16/h4-11,17H,12-13H2,1-3H3,(H,21,25)/t17-/m1/s1
InChIKeyQMJWZGKGJVTMAP-QGZVFWFLSA-N
XLogP3.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea with MolForge

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Related Compounds

1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
CID 95980251
3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 71875837
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride
CID 120631203
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776473
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
CID 119776437
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119776472
N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide
CID 95621378

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea (CID 95630430) is 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea is Cc1cccc(C)c1NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is QMJWZGKGJVTMAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-8-7-9-15(2)18(14)21-20(25)22(3)17-12-13-23(19(17)24)16-10-5-4-6-11-16/h4-11,17H,12-13H2,1-3H3,(H,21,25)/t17-/m1/s1.
What are the key properties of 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 337.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 95630430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).