1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C19H21N3O2 — CID 7513500

IUPAC1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(C)c(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C19H21N3O2/c1-13-8-9-14(2)17(10-13)21-19(24)20-15-11-18(23)22(12-15)16-6-4-3-5-7-16/h3-10,15H,11-12H2,1-2H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyVDWQBCUPLDQYFL-HNNXBMFYSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7513500) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7513500
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(C)c(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C19H21N3O2/c1-13-8-9-14(2)17(10-13)21-19(24)20-15-11-18(23)22(12-15)16-6-4-3-5-7-16/h3-10,15H,11-12H2,1-2H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyVDWQBCUPLDQYFL-HNNXBMFYSA-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-(2,5-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544495
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(2,5-dimethylphenyl)urea
CID 7552286
1-(5-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970354
1-(3-methylphenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513840
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 7215628
1-(4-anilinophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969485
1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7209063
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7513500) is 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is Cc1ccc(C)c(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is VDWQBCUPLDQYFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-8-9-14(2)17(10-13)21-19(24)20-15-11-18(23)22(12-15)16-6-4-3-5-7-16/h3-10,15H,11-12H2,1-2H3,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-(2,5-dimethylphenyl)-3-[(3S)-5-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-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7513500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).