1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea

C17H25N3O2 — CID 71838793

IUPAC1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
SMILESCc1ccc(N2CCC(NC(=O)NCC(C)C)C2=O)cc1C
InChIInChI=1S/C17H25N3O2/c1-11(2)10-18-17(22)19-15-7-8-20(16(15)21)14-6-5-12(3)13(4)9-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H2,18,19,22)
InChIKeyPUJUVKPJILANTF-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea

1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea (PubChem CID 71838793) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
PubChem CID71838793
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
SMILESCc1ccc(N2CCC(NC(=O)NCC(C)C)C2=O)cc1C
InChIInChI=1S/C17H25N3O2/c1-11(2)10-18-17(22)19-15-7-8-20(16(15)21)14-6-5-12(3)13(4)9-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H2,18,19,22)
InChIKeyPUJUVKPJILANTF-UHFFFAOYSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea (CID 71838793) is 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea is Cc1ccc(N2CCC(NC(=O)NCC(C)C)C2=O)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea?
The InChIKey is PUJUVKPJILANTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11(2)10-18-17(22)19-15-7-8-20(16(15)21)14-6-5-12(3)13(4)9-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea?
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea has a molecular weight of 303.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 71838793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).