1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid

C18H27NO7 — CID 2922327

IUPAC1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid
SMILESCCOc1ccc(OCCOCCN2CCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO3.C2H2O4/c1-2-19-15-5-7-16(8-6-15)20-14-13-18-12-11-17-9-3-4-10-17;3-1(4)2(5)6/h5-8H,2-4,9-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyWRSWVKTWCKNQBF-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.73
Rot. Bonds9

About 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid

1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid (PubChem CID 2922327) has the molecular formula C18H27NO7 and a molecular weight of 369.41 g/mol. Its IUPAC name is 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid.

Molecular Properties

Compound Name1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid
PubChem CID2922327
Molecular FormulaC18H27NO7
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Name1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid
SMILESCCOc1ccc(OCCOCCN2CCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO3.C2H2O4/c1-2-19-15-5-7-16(8-6-15)20-14-13-18-12-11-17-9-3-4-10-17;3-1(4)2(5)6/h5-8H,2-4,9-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyWRSWVKTWCKNQBF-UHFFFAOYSA-N
XLogP1.73
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Promolate
CID 71133
2-(4-(2-(((2R)-2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)acetic acid
CID 6604779
1-Phenoxy-3-pyrrolidin-1-yl-propan-2-ol
CID 269713
1-(2,6-Dimethyl-4-morpholinyl)-3-(4-methoxyphenoxy)-2-propanol hydrochloride
CID 2839486
1-[2-(4-Methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847975
[4-(2-Fluorophenoxy)butyl]dimethylamine oxalate
CID 2935506
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide
CID 23724243
3-Butyl-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 536157
1-[4-(4-Methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24761392
Ici 215001
CID 164451
1-(3-Phenoxypropyl)pyrrolidine oxalate
CID 2841432
1-[2-(4-Phenoxyphenoxy)ethyl]pyrrolidine
CID 9993978

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid?
The IUPAC name of 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid (CID 2922327) is 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid.
What is the SMILES notation for 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid?
The canonical SMILES for 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid is CCOc1ccc(OCCOCCN2CCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid?
The InChIKey is WRSWVKTWCKNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.C2H2O4/c1-2-19-15-5-7-16(8-6-15)20-14-13-18-12-11-17-9-3-4-10-17;3-1(4)2(5)6/h5-8H,2-4,9-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid?
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid has a molecular weight of 369.41 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]pyrrolidine;oxalic acid is sourced from PubChem (CID 2922327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).