1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea

C16H21F3N2O2 — CID 97061185

IUPAC1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
SMILESCN(C[C@H]1CCCO1)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-21(11-13-8-5-9-23-13)15(22)20-14(16(17,18)19)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyCFJXMATWKGPEEH-ZIAGYGMSSA-N
MW330.35 g/mol
LogP2.98
Rot. Bonds5

About 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea

1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea (PubChem CID 97061185) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
PubChem CID97061185
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
SMILESCN(C[C@H]1CCCO1)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-21(11-13-8-5-9-23-13)15(22)20-14(16(17,18)19)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyCFJXMATWKGPEEH-ZIAGYGMSSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea with MolForge

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Related Compounds

1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99822561
(1R,5S)-N-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97081865
3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 122150742
1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
CID 86826830
3-(1H-imidazol-5-yl)-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61435830
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436490

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea (CID 97061185) is 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea is CN(C[C@H]1CCCO1)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea?
The InChIKey is CFJXMATWKGPEEH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21(11-13-8-5-9-23-13)15(22)20-14(16(17,18)19)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea?
1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea has a molecular weight of 330.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 97061185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).