tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate

C17H26FNO4 — CID 171884674

IUPACtert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
SMILESCc1cc(F)cc(C)c1C(O)C(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H26FNO4/c1-10-8-12(18)9-11(2)14(10)15(21)13(20)6-7-19-16(22)23-17(3,4)5/h8-9,13,15,20-21H,6-7H2,1-5H3,(H,19,22)
InChIKeyJPZRBPHMIVFCPP-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.75
Rot. Bonds5

About tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate

tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171884674) has the molecular formula C17H26FNO4 and a molecular weight of 327.40 g/mol. Its IUPAC name is tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
PubChem CID171884674
Molecular FormulaC17H26FNO4
Molecular Weight327.40 g/mol
Exact Mass327.18
IUPAC Nametert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
SMILESCc1cc(F)cc(C)c1C(O)C(O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H26FNO4/c1-10-8-12(18)9-11(2)14(10)15(21)13(20)6-7-19-16(22)23-17(3,4)5/h8-9,13,15,20-21H,6-7H2,1-5H3,(H,19,22)
InChIKeyJPZRBPHMIVFCPP-UHFFFAOYSA-N
XLogP2.75
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(6-amino-2,4-dimethyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884816
tert-butyl N-[2,3-dihydroxy-3-(2,4,6-trifluorophenyl)propyl]carbamate
CID 170831934
tert-butyl N-[4-(3,5-dimethylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884388
tert-butyl N-[4-(3-fluoro-5-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884760
tert-butyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884407
tert-butyl N-[4-(4-chloro-3,5-difluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884667
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butyl]carbamate
CID 171884463
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
CID 171884279
tert-butyl N-[4-(6-chloro-4-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884554
tert-butyl N-[4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884447
tert-butyl N-[4-(5-formyl-2-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884784
tert-butyl N-[4-(3,4-dichloro-5-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884666

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate (CID 171884674) is tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate is Cc1cc(F)cc(C)c1C(O)C(O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is JPZRBPHMIVFCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO4/c1-10-8-12(18)9-11(2)14(10)15(21)13(20)6-7-19-16(22)23-17(3,4)5/h8-9,13,15,20-21H,6-7H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate?
tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 327.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171884674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).