N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate

C19H20F3N2O4- — CID 154079185

IUPACN-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate
SMILESO=C([O-])NC(Cc1ccccc1)C(O)CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H21F3N2O4/c20-19(21,22)28-17-9-5-4-8-14(17)11-23-12-16(25)15(24-18(26)27)10-13-6-2-1-3-7-13/h1-9,15-16,23-25H,10-12H2,(H,26,27)/p-1
InChIKeyPYDMIRQCELSLSW-UHFFFAOYSA-M
MW397.37 g/mol
LogP1.58
Rot. Bonds9

About N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate

N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate (PubChem CID 154079185) has the molecular formula C19H20F3N2O4- and a molecular weight of 397.37 g/mol. Its IUPAC name is N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate.

Molecular Properties

Compound NameN-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate
PubChem CID154079185
Molecular FormulaC19H20F3N2O4-
Molecular Weight397.37 g/mol
Exact Mass397.14
IUPAC NameN-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate
SMILESO=C([O-])NC(Cc1ccccc1)C(O)CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H21F3N2O4/c20-19(21,22)28-17-9-5-4-8-14(17)11-23-12-16(25)15(24-18(26)27)10-13-6-2-1-3-7-13/h1-9,15-16,23-25H,10-12H2,(H,26,27)/p-1
InChIKeyPYDMIRQCELSLSW-UHFFFAOYSA-M
XLogP1.58
TPSA93.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 106170862
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
[(2S,3R)-4-[(2,4-dimethoxyphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70143955
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34553727
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
tert-butyl-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-phenyl-3-[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]butyl]amino]-1-phenylbutan-2-yl]carbamic acid
CID 57365846
[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid
CID 70146918
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
2-fluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(propan-2-ylamino)benzamide
CID 69448579
N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 143203130

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate?
The IUPAC name of N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate (CID 154079185) is N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate.
What is the SMILES notation for N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate?
The canonical SMILES for N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate is O=C([O-])NC(Cc1ccccc1)C(O)CNCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate?
The InChIKey is PYDMIRQCELSLSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21F3N2O4/c20-19(21,22)28-17-9-5-4-8-14(17)11-23-12-16(25)15(24-18(26)27)10-13-6-2-1-3-7-13/h1-9,15-16,23-25H,10-12H2,(H,26,27)/p-1.
What are the key properties of N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate?
N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate has a molecular weight of 397.37 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-phenyl-4-[[2-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]carbamate is sourced from PubChem (CID 154079185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).