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

C20H23NO5 — CID 151717163

IUPAC(2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)COC(=O)N1CCCC1COc1cccc2ccccc12
InChIInChI=1S/C20H23NO5/c1-2-24-19(22)14-26-20(23)21-12-6-9-16(21)13-25-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3
InChIKeyRHULILDNXDMNRT-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.38
Rot. Bonds6

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

(2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate (PubChem CID 151717163) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
PubChem CID151717163
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)COC(=O)N1CCCC1COc1cccc2ccccc12
InChIInChI=1S/C20H23NO5/c1-2-24-19(22)14-26-20(23)21-12-6-9-16(21)13-25-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3
InChIKeyRHULILDNXDMNRT-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxy-2-oxoethyl) 3-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate
CID 67416268
2-amino-6-[[(2S)-1-butanoylpyrrolidin-2-yl]methoxy]benzonitrile
CID 66746002
(2S)-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carbonitrile
CID 73353424
2-naphthalen-1-yloxy-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120949565
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609
4-oxo-4-[2-[(2-prop-1-en-2-ylphenoxy)methyl]pyrrolidin-1-yl]butanoic acid
CID 89011951
ethyl (2S)-2-(phenanthrene-9-carbonyl)pyrrolidine-1-carboxylate
CID 71535782
(2-ethylpiperidin-1-yl)-[6-(naphthalen-1-yloxymethyl)-2-pyridinyl]methanone
CID 58210556
tert-butyl (2S)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177764
tert-butyl (2R)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177765

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate (CID 151717163) is (2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate is CCOC(=O)COC(=O)N1CCCC1COc1cccc2ccccc12.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is RHULILDNXDMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-24-19(22)14-26-20(23)21-12-6-9-16(21)13-25-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate?
(2-ethoxy-2-oxoethyl) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.38, 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) 2-(naphthalen-1-yloxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 151717163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).