1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea

C15H25F3N2O3 — CID 75505748

IUPAC1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESCN(CC(O)C(F)(F)F)C(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H25F3N2O3/c1-20(10-12(21)15(16,17)18)13(22)19-11-5-8-23-14(9-11)6-3-2-4-7-14/h11-12,21H,2-10H2,1H3,(H,19,22)
InChIKeyAXOSCPKWHYBAOL-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.43
Rot. Bonds3

About 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea

1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea (PubChem CID 75505748) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
PubChem CID75505748
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Name1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
SMILESCN(CC(O)C(F)(F)F)C(=O)NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H25F3N2O3/c1-20(10-12(21)15(16,17)18)13(22)19-11-5-8-23-14(9-11)6-3-2-4-7-14/h11-12,21H,2-10H2,1H3,(H,19,22)
InChIKeyAXOSCPKWHYBAOL-UHFFFAOYSA-N
XLogP2.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)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-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The IUPAC name of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea (CID 75505748) is 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea.
What is the SMILES notation for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The canonical SMILES for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea is CN(CC(O)C(F)(F)F)C(=O)NC1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
The InChIKey is AXOSCPKWHYBAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-20(10-12(21)15(16,17)18)13(22)19-11-5-8-23-14(9-11)6-3-2-4-7-14/h11-12,21H,2-10H2,1H3,(H,19,22).
What are the key properties of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea?
1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea has a molecular weight of 338.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea is sourced from PubChem (CID 75505748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).