[3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone

C19H28N2O3 — CID 91137906

IUPAC[3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1cc(COC)ccc1OC1CCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C19H28N2O3/c1-3-16-12-15(14-23-2)6-7-18(16)24-17-8-11-21(13-17)19(22)20-9-4-5-10-20/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3
InChIKeyFNWXOZIWKKPAGT-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.06
Rot. Bonds5

About [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone

[3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 91137906) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID91137906
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1cc(COC)ccc1OC1CCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C19H28N2O3/c1-3-16-12-15(14-23-2)6-7-18(16)24-17-8-11-21(13-17)19(22)20-9-4-5-10-20/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3
InChIKeyFNWXOZIWKKPAGT-UHFFFAOYSA-N
XLogP3.06
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-iodophenoxy)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
CID 91126412
tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 90730266
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129475234
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 122258032
2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257488
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
[4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 123537220
[(2S,5R)-2-[2-[4-(methoxymethyl)phenyl]ethyl]-5-methylpyrrolidin-1-yl]-piperidin-1-ylmethanone
CID 70897416
3-[2-(hydroxymethyl)-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135334
2-(furan-3-yl)-1-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129006594

Frequently Asked Questions

What is the IUPAC name of [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone (CID 91137906) is [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone is CCc1cc(COC)ccc1OC1CCN(C(=O)N2CCCC2)C1.
What is the InChIKey of [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FNWXOZIWKKPAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-16-12-15(14-23-2)6-7-18(16)24-17-8-11-21(13-17)19(22)20-9-4-5-10-20/h6-7,12,17H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone?
[3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 332.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-ethyl-4-(methoxymethyl)phenoxy]pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91137906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).