tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate

C15H22FNO4 — CID 18933347

IUPACtert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(F)cc1)CC(O)CO
InChIInChI=1S/C15H22FNO4/c1-15(2,3)21-14(20)17(9-13(19)10-18)8-11-4-6-12(16)7-5-11/h4-7,13,18-19H,8-10H2,1-3H3
InChIKeyMHUKUVKBQFXKHC-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.92
Rot. Bonds5

About tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate

tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate (PubChem CID 18933347) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate
PubChem CID18933347
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Nametert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(F)cc1)CC(O)CO
InChIInChI=1S/C15H22FNO4/c1-15(2,3)21-14(20)17(9-13(19)10-18)8-11-4-6-12(16)7-5-11/h4-7,13,18-19H,8-10H2,1-3H3
InChIKeyMHUKUVKBQFXKHC-UHFFFAOYSA-N
XLogP1.92
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 18933288
tert-butyl N-[(4-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 166513813
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
tert-butyl N-[(4-fluorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 86280094
tert-butyl N-[(4-bromophenyl)methyl]-N-[2-hydroxy-2-(2-methylpropoxy)ethyl]carbamate
CID 126677137
tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 163209491
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
[[4-(hydroxymethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl methanesulfonate
CID 90876890
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386
tert-butyl N-[(4-fluorophenyl)methyl]-N-[[5-hydroxy-6-(hydroxycarbamoyl)-4-methyl-3-pyridinyl]methyl]carbamate
CID 44540288
tert-butyl N-tert-butyl-N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 102402689
tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
CID 140978282

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate (CID 18933347) is tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)CC(O)CO.
What is the InChIKey of tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate?
The InChIKey is MHUKUVKBQFXKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-15(2,3)21-14(20)17(9-13(19)10-18)8-11-4-6-12(16)7-5-11/h4-7,13,18-19H,8-10H2,1-3H3.
What are the key properties of tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate?
tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate has a molecular weight of 299.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 18933347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).