1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea

C17H23F3N2O3 — CID 95324860

IUPAC1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea
SMILESO=C(NCC[C@H]1CCCO1)NCC[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H23F3N2O3/c18-17(19,20)16(24,13-5-2-1-3-6-13)9-11-22-15(23)21-10-8-14-7-4-12-25-14/h1-3,5-6,14,24H,4,7-12H2,(H2,21,22,23)/t14-,16-/m1/s1
InChIKeyDDCGIXUADUGGKO-GDBMZVCRSA-N
MW360.38 g/mol
LogP2.69
Rot. Bonds7

About 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea

1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea (PubChem CID 95324860) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea.

Molecular Properties

Compound Name1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea
PubChem CID95324860
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea
SMILESO=C(NCC[C@H]1CCCO1)NCC[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H23F3N2O3/c18-17(19,20)16(24,13-5-2-1-3-6-13)9-11-22-15(23)21-10-8-14-7-4-12-25-14/h1-3,5-6,14,24H,4,7-12H2,(H2,21,22,23)/t14-,16-/m1/s1
InChIKeyDDCGIXUADUGGKO-GDBMZVCRSA-N
XLogP2.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea with MolForge

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Related Compounds

2-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463058
(2R)-5-oxo-N-(4,4,4-trifluoro-3-hydroxy-3-phenylbutyl)pyrrolidine-2-carboxamide
CID 75372390
trans-(1S,2S)-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96511366
1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea
CID 110019268
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
2-hydroxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 104833640
1-(oxolan-2-yl)-3-phenylhexan-3-ol
CID 65162334

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea?
The IUPAC name of 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea (CID 95324860) is 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea.
What is the SMILES notation for 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea?
The canonical SMILES for 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea is O=C(NCC[C@H]1CCCO1)NCC[C@@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea?
The InChIKey is DDCGIXUADUGGKO-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c18-17(19,20)16(24,13-5-2-1-3-6-13)9-11-22-15(23)21-10-8-14-7-4-12-25-14/h1-3,5-6,14,24H,4,7-12H2,(H2,21,22,23)/t14-,16-/m1/s1.
What are the key properties of 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea?
1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea has a molecular weight of 360.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-oxolan-2-yl]ethyl]-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]urea is sourced from PubChem (CID 95324860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).