3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine

C17H34N2O4 — CID 166488847

IUPAC3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine
SMILESCOCC1CC(OC)C(CC(C)OC2CN(C)CC2OC)N1C
InChIInChI=1S/C17H34N2O4/c1-12(23-17-10-18(2)9-16(17)22-6)7-14-15(21-5)8-13(11-20-4)19(14)3/h12-17H,7-11H2,1-6H3
InChIKeyKSMDNIHSLZPTHG-UHFFFAOYSA-N
MW330.47 g/mol
LogP0.84
Rot. Bonds8

About 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine

3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine (PubChem CID 166488847) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine
PubChem CID166488847
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Name3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine
SMILESCOCC1CC(OC)C(CC(C)OC2CN(C)CC2OC)N1C
InChIInChI=1S/C17H34N2O4/c1-12(23-17-10-18(2)9-16(17)22-6)7-14-15(21-5)8-13(11-20-4)19(14)3/h12-17H,7-11H2,1-6H3
InChIKeyKSMDNIHSLZPTHG-UHFFFAOYSA-N
XLogP0.84
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine?
The IUPAC name of 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine (CID 166488847) is 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine.
What is the SMILES notation for 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine?
The canonical SMILES for 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine is COCC1CC(OC)C(CC(C)OC2CN(C)CC2OC)N1C.
What is the InChIKey of 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine?
The InChIKey is KSMDNIHSLZPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-12(23-17-10-18(2)9-16(17)22-6)7-14-15(21-5)8-13(11-20-4)19(14)3/h12-17H,7-11H2,1-6H3.
What are the key properties of 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine?
3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine has a molecular weight of 330.47 g/mol, XLogP of 0.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(methoxymethyl)-2-[2-(4-methoxy-1-methylpyrrolidin-3-yl)oxypropyl]-1-methylpyrrolidine is sourced from PubChem (CID 166488847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).