tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate

C16H21FN2O3 — CID 169466457

IUPACtert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate
SMILESCC(=O)NCC=Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1
InChIInChI=1S/C16H21FN2O3/c1-11(20)18-9-5-6-12-7-8-14(13(17)10-12)19-15(21)22-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyZECGJWVGVZFXGF-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.32
Rot. Bonds4

About tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate

tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate (PubChem CID 169466457) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate
PubChem CID169466457
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nametert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate
SMILESCC(=O)NCC=Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1
InChIInChI=1S/C16H21FN2O3/c1-11(20)18-9-5-6-12-7-8-14(13(17)10-12)19-15(21)22-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyZECGJWVGVZFXGF-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[2-fluoro-4-(4-sulfanylbut-1-enyl)phenyl]carbamate
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tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
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tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
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tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
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N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
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N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
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tert-butyl N-[3-[4-(methylamino)-3-nitrophenyl]prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate (CID 169466457) is tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate is CC(=O)NCC=Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1.
What is the InChIKey of tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate?
The InChIKey is ZECGJWVGVZFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-11(20)18-9-5-6-12-7-8-14(13(17)10-12)19-15(21)22-16(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate?
tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate has a molecular weight of 308.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate is sourced from PubChem (CID 169466457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).