ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate

C29H30FNO5 — CID 67598972

IUPACethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate
SMILESCCOC(=O)COc1cccc2c1CCC(F)(C(C)OC(=O)N(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C29H30FNO5/c1-3-34-27(32)20-35-26-16-10-11-22-19-29(30,18-17-25(22)26)21(2)36-28(33)31(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,21H,3,17-20H2,1-2H3
InChIKeyCTTFHTCGTIXRNZ-UHFFFAOYSA-N
MW491.56 g/mol
LogP6.19
Rot. Bonds8

About ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate

ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate (PubChem CID 67598972) has the molecular formula C29H30FNO5 and a molecular weight of 491.56 g/mol. Its IUPAC name is ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate
PubChem CID67598972
Molecular FormulaC29H30FNO5
Molecular Weight491.56 g/mol
Exact Mass491.21
IUPAC Nameethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate
SMILESCCOC(=O)COc1cccc2c1CCC(F)(C(C)OC(=O)N(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C29H30FNO5/c1-3-34-27(32)20-35-26-16-10-11-22-19-29(30,18-17-25(22)26)21(2)36-28(33)31(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,21H,3,17-20H2,1-2H3
InChIKeyCTTFHTCGTIXRNZ-UHFFFAOYSA-N
XLogP6.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.56
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate with MolForge

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Related Compounds

ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate
CID 70187823
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 67613778
2-[[(6R)-6-[[(3-fluorophenyl)-(4-fluorophenyl)carbamoyl]oxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid
CID 20695076
ethyl 2-[[6-(benzhydryloxycarbonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetate
CID 70187766
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
CID 39733625
sodium 2-[[6-(diphenylcarbamoyloxymethyl)-7-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-yl]oxy]acetate
CID 139899873
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate
CID 118272270

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate (CID 67598972) is ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate is CCOC(=O)COc1cccc2c1CCC(F)(C(C)OC(=O)N(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate?
The InChIKey is CTTFHTCGTIXRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FNO5/c1-3-34-27(32)20-35-26-16-10-11-22-19-29(30,18-17-25(22)26)21(2)36-28(33)31(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,21H,3,17-20H2,1-2H3.
What are the key properties of ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate?
ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate has a molecular weight of 491.56 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate is sourced from PubChem (CID 67598972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).