1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea

C23H30F3N3O3 — CID 155968638

IUPAC1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea
SMILESO=C(NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)NC1CCN(C2CCCCC2)C1=O
InChIInChI=1S/C23H30F3N3O3/c24-23(25,26)22(32)13-21(14-22,16-7-3-1-4-8-16)15-27-20(31)28-18-11-12-29(19(18)30)17-9-5-2-6-10-17/h1,3-4,7-8,17-18,32H,2,5-6,9-15H2,(H2,27,28,31)
InChIKeyCXRAJBYTGHCVCV-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.24
Rot. Bonds5

About 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea

1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea (PubChem CID 155968638) has the molecular formula C23H30F3N3O3 and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea
PubChem CID155968638
Molecular FormulaC23H30F3N3O3
Molecular Weight453.51 g/mol
Exact Mass453.22
IUPAC Name1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea
SMILESO=C(NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)NC1CCN(C2CCCCC2)C1=O
InChIInChI=1S/C23H30F3N3O3/c24-23(25,26)22(32)13-21(14-22,16-7-3-1-4-8-16)15-27-20(31)28-18-11-12-29(19(18)30)17-9-5-2-6-10-17/h1,3-4,7-8,17-18,32H,2,5-6,9-15H2,(H2,27,28,31)
InChIKeyCXRAJBYTGHCVCV-UHFFFAOYSA-N
XLogP3.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea (CID 155968638) is 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea is O=C(NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)NC1CCN(C2CCCCC2)C1=O.
What is the InChIKey of 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea?
The InChIKey is CXRAJBYTGHCVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3O3/c24-23(25,26)22(32)13-21(14-22,16-7-3-1-4-8-16)15-27-20(31)28-18-11-12-29(19(18)30)17-9-5-2-6-10-17/h1,3-4,7-8,17-18,32H,2,5-6,9-15H2,(H2,27,28,31).
What are the key properties of 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea?
1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea has a molecular weight of 453.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2-oxopyrrolidin-3-yl)-3-[[3-hydroxy-1-phenyl-3-(trifluoromethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 155968638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).