1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea

C16H23F3N2O2 — CID 97223741

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESC[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H23F3N2O2/c1-11(20-14(22)21(4)10-15(2,3)23)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,11,23H,9-10H2,1-4H3,(H,20,22)/t11-/m1/s1
InChIKeyYWCQLPYVEICZGP-LLVKDONJSA-N
MW332.37 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea (PubChem CID 97223741) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
PubChem CID97223741
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESC[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C16H23F3N2O2/c1-11(20-14(22)21(4)10-15(2,3)23)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,11,23H,9-10H2,1-4H3,(H,20,22)/t11-/m1/s1
InChIKeyYWCQLPYVEICZGP-LLVKDONJSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 97223641
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 104902445
2-amino-2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 120589300
(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 122038148
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
3-[(2S)-1-(4-fluorophenoxy)propan-2-yl]-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 52732451
4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733487
2-amino-2-(4-methylphenyl)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 120667536
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 111543235
4-[1-(4-fluorophenyl)propan-2-ylcarbamoyl-methylamino]butanoic acid
CID 62995451
9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989623

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea (CID 97223741) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea is C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
The InChIKey is YWCQLPYVEICZGP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-11(20-14(22)21(4)10-15(2,3)23)9-12-5-7-13(8-6-12)16(17,18)19/h5-8,11,23H,9-10H2,1-4H3,(H,20,22)/t11-/m1/s1.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea has a molecular weight of 332.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 97223741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).