1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea

C14H22F3N3O2 — CID 167982510

IUPAC1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea
SMILESCC1(C)CNC(=O)C1NC(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C14H22F3N3O2/c1-12(2)8-18-10(21)9(12)19-11(22)20-13(14(15,16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyDQSXMKHAJQUPJY-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.08
Rot. Bonds2

About 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea

1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea (PubChem CID 167982510) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea
PubChem CID167982510
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea
SMILESCC1(C)CNC(=O)C1NC(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C14H22F3N3O2/c1-12(2)8-18-10(21)9(12)19-11(22)20-13(14(15,16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyDQSXMKHAJQUPJY-UHFFFAOYSA-N
XLogP2.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea (CID 167982510) is 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea is CC1(C)CNC(=O)C1NC(=O)NC1(C(F)(F)F)CCCCC1.
What is the InChIKey of 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is DQSXMKHAJQUPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-12(2)8-18-10(21)9(12)19-11(22)20-13(14(15,16)17)6-4-3-5-7-13/h9H,3-8H2,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea?
1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 321.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 167982510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).