(2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate

C20H23NO5 — CID 67416268

IUPAC(2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)COC(=O)N1CCC(COc2cccc3ccccc23)C1
InChIInChI=1S/C20H23NO5/c1-2-24-19(22)14-26-20(23)21-11-10-15(12-21)13-25-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15H,2,10-14H2,1H3
InChIKeyVCKPNIDNYPGBNA-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.24
Rot. Bonds6

About (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate

(2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 67416268) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
PubChem CID67416268
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)COC(=O)N1CCC(COc2cccc3ccccc23)C1
InChIInChI=1S/C20H23NO5/c1-2-24-19(22)14-26-20(23)21-11-10-15(12-21)13-25-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15H,2,10-14H2,1H3
InChIKeyVCKPNIDNYPGBNA-UHFFFAOYSA-N
XLogP3.24
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
CID 151717163
ethyl 3-[(3R)-3-[(2-cyclopentylphenoxy)methyl]pyrrolidin-1-yl]-3-oxopropanoate
CID 130297143
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119487122
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609
tert-butyl 3-[(2-methylphenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902814
methyl 4-[(2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110411471
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119648193
2-(2-aminophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64570188
ethyl 4-[[N'-methyl-N-(2-naphthalen-1-yloxyethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329200
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 24902819

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate (CID 67416268) is (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate is CCOC(=O)COC(=O)N1CCC(COc2cccc3ccccc23)C1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is VCKPNIDNYPGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-24-19(22)14-26-20(23)21-11-10-15(12-21)13-25-18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15H,2,10-14H2,1H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate?
(2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 67416268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).