1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea

C16H23N3O2 — CID 175838371

IUPAC1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccccc1NC(=O)NC1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C16H23N3O2/c1-11(2)9-19-10-13(8-15(19)20)17-16(21)18-14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H2,17,18,21)
InChIKeyRYZFQYMYYPDWOB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.37
Rot. Bonds4

About 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea

1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 175838371) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID175838371
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1ccccc1NC(=O)NC1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C16H23N3O2/c1-11(2)9-19-10-13(8-15(19)20)17-16(21)18-14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H2,17,18,21)
InChIKeyRYZFQYMYYPDWOB-UHFFFAOYSA-N
XLogP2.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylphenyl)urea
CID 7552485
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 45241705
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
CID 108876657
1-(2-butan-2-ylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877028
1-(2-methylphenyl)-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837512
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 108876656
1-[(4S,5S)-1,3-dimethyl-5-[(2-methylphenyl)carbamoylamino]-2-oxoimidazolidin-4-yl]-3-(2-methylphenyl)urea
CID 7336308
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108876751
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea (CID 175838371) is 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea is Cc1ccccc1NC(=O)NC1CC(=O)N(CC(C)C)C1.
What is the InChIKey of 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is RYZFQYMYYPDWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)9-19-10-13(8-15(19)20)17-16(21)18-14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea?
1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 289.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 175838371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).