ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate

C30H31NO5 — CID 70187823

IUPACethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate
SMILESCCOC(=O)COc1cccc2c1CCC(C)=C2CCOC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NO5/c1-3-34-29(32)21-36-28-16-10-15-26-25(22(2)17-18-27(26)28)19-20-35-30(33)31(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-16H,3,17-21H2,1-2H3
InChIKeyZFICYSLLGQOVSB-UHFFFAOYSA-N
MW485.58 g/mol
LogP6.71
Rot. Bonds9

About ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate

ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate (PubChem CID 70187823) has the molecular formula C30H31NO5 and a molecular weight of 485.58 g/mol. Its IUPAC name is ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate
PubChem CID70187823
Molecular FormulaC30H31NO5
Molecular Weight485.58 g/mol
Exact Mass485.22
IUPAC Nameethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate
SMILESCCOC(=O)COc1cccc2c1CCC(C)=C2CCOC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NO5/c1-3-34-29(32)21-36-28-16-10-15-26-25(22(2)17-18-27(26)28)19-20-35-30(33)31(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-16H,3,17-21H2,1-2H3
InChIKeyZFICYSLLGQOVSB-UHFFFAOYSA-N
XLogP6.71
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate with MolForge

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Related Compounds

ethyl 2-[[6-[1-(diphenylcarbamoyloxy)ethyl]-6-fluoro-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetate
CID 67598972
butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
CID 60730584
ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
CID 39733625
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 67613778
ethyl N,N-diphenylcarbamate;isocyanic acid
CID 87547778
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
butyl 2-(2-ethoxyphenoxy)acetate
CID 54941442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate (CID 70187823) is ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate is CCOC(=O)COc1cccc2c1CCC(C)=C2CCOC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate?
The InChIKey is ZFICYSLLGQOVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO5/c1-3-34-29(32)21-36-28-16-10-15-26-25(22(2)17-18-27(26)28)19-20-35-30(33)31(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-16H,3,17-21H2,1-2H3.
What are the key properties of ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate?
ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate has a molecular weight of 485.58 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[2-(diphenylcarbamoyloxy)ethyl]-6-methyl-7,8-dihydronaphthalen-1-yl]oxy]acetate is sourced from PubChem (CID 70187823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).