1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea

C19H21N3O2 — CID 95269169

IUPAC1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C19H21N3O2/c1-13-8-9-16(14(2)12-13)20-19(24)21-17-10-11-22(18(17)23)15-6-4-3-5-7-15/h3-9,12,17H,10-11H2,1-2H3,(H2,20,21,24)/t17-/m1/s1
InChIKeyCJQDVBZQIZPREN-QGZVFWFLSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea

1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 95269169) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID95269169
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C19H21N3O2/c1-13-8-9-16(14(2)12-13)20-19(24)21-17-10-11-22(18(17)23)15-6-4-3-5-7-15/h3-9,12,17H,10-11H2,1-2H3,(H2,20,21,24)/t17-/m1/s1
InChIKeyCJQDVBZQIZPREN-QGZVFWFLSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838784
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 71838764
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838705
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea (CID 95269169) is 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea is Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is CJQDVBZQIZPREN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-8-9-16(14(2)12-13)20-19(24)21-17-10-11-22(18(17)23)15-6-4-3-5-7-15/h3-9,12,17H,10-11H2,1-2H3,(H2,20,21,24)/t17-/m1/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea?
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 323.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 95269169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).