tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate

C16H24FNO4 — CID 18933288

IUPACtert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOCCO)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18(8-10-21-11-9-19)12-13-4-6-14(17)7-5-13/h4-7,19H,8-12H2,1-3H3
InChIKeyGYOZJJQSUSMMOH-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.57
Rot. Bonds7

About tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate

tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate (PubChem CID 18933288) has the molecular formula C16H24FNO4 and a molecular weight of 313.37 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
PubChem CID18933288
Molecular FormulaC16H24FNO4
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Nametert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOCCO)Cc1ccc(F)cc1
InChIInChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18(8-10-21-11-9-19)12-13-4-6-14(17)7-5-13/h4-7,19H,8-12H2,1-3H3
InChIKeyGYOZJJQSUSMMOH-UHFFFAOYSA-N
XLogP2.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate
CID 18933347
tert-butyl 3-[2-[2-[2-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172946115
tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
CID 177239913
tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
CID 168818010
tert-butyl N-[(4-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 166513813
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243374
tert-butyl N-[(4-fluorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 86280094
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-(3-hydroxypropyl)-N-[(4-phenoxyphenyl)methyl]carbamate
CID 167461963

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate (CID 18933288) is tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate is CC(C)(C)OC(=O)N(CCOCCO)Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The InChIKey is GYOZJJQSUSMMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO4/c1-16(2,3)22-15(20)18(8-10-21-11-9-19)12-13-4-6-14(17)7-5-13/h4-7,19H,8-12H2,1-3H3.
What are the key properties of tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate?
tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate has a molecular weight of 313.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate is sourced from PubChem (CID 18933288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).