tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate

C19H22FNO4 — CID 25188145

IUPACtert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(CC(O)/C=C/c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C19H22FNO4/c1-19(2,3)25-18(23)21(17-5-4-12-24-17)13-16(22)11-8-14-6-9-15(20)10-7-14/h4-12,16,22H,13H2,1-3H3/b11-8+
InChIKeyDNAYSBIZCAVSJN-DHZHZOJOSA-N
MW347.39 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate

tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate (PubChem CID 25188145) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate
PubChem CID25188145
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Nametert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(CC(O)/C=C/c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C19H22FNO4/c1-19(2,3)25-18(23)21(17-5-4-12-24-17)13-16(22)11-8-14-6-9-15(20)10-7-14/h4-12,16,22H,13H2,1-3H3/b11-8+
InChIKeyDNAYSBIZCAVSJN-DHZHZOJOSA-N
XLogP4.23
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(furan-2-yl)-N-(2-methylbutyl)carbamate
CID 155937072
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
tert-butyl N-[2-(1-acetylindol-3-yl)ethyl]-N-(furan-2-yl)carbamate
CID 102439230
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
tert-butyl N-benzyl-N-[(2S,3S)-1-(furan-2-yl)-2-hydroxy-1-oxopentan-3-yl]carbamate
CID 132530497
tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate
CID 18933347
tert-butyl [[(E,2S)-4-[3-(4-fluorophenyl)phenyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 139702329
tert-butyl [[(E)-4-[3-(4-fluorophenyl)phenyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 139702312
[(E)-1-(4-fluorophenyl)-3-phenylprop-2-enyl] 2,2-dimethylpropanoate
CID 167189022
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[(2S)-4-[3-fluoro-5-(4-fluorophenyl)phenyl]but-3-en-2-yl]-N-hydroxycarbamate
CID 173332454
tert-butyl N-(furan-2-yl)-N-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 175510299

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate?
The IUPAC name of tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate (CID 25188145) is tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate is CC(C)(C)OC(=O)N(CC(O)/C=C/c1ccc(F)cc1)c1ccco1.
What is the InChIKey of tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate?
The InChIKey is DNAYSBIZCAVSJN-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-19(2,3)25-18(23)21(17-5-4-12-24-17)13-16(22)11-8-14-6-9-15(20)10-7-14/h4-12,16,22H,13H2,1-3H3/b11-8+.
What are the key properties of tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate?
tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate has a molecular weight of 347.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-(4-fluorophenyl)-2-hydroxybut-3-enyl]-N-(furan-2-yl)carbamate is sourced from PubChem (CID 25188145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).