2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone

C19H21NO2 — CID 78760780

IUPAC2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C19H21NO2/c21-19(20-12-6-7-13-20)15-22-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2
InChIKeySMVPFAJKDDHZIM-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.28
Rot. Bonds5

About 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone

2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 78760780) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID78760780
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C19H21NO2/c21-19(20-12-6-7-13-20)15-22-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2
InChIKeySMVPFAJKDDHZIM-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
CID 60529408
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124611231
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
2-[2-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 111469398
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone (CID 78760780) is 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone is O=C(COc1ccccc1Cc1ccccc1)N1CCCC1.
What is the InChIKey of 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is SMVPFAJKDDHZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(20-12-6-7-13-20)15-22-18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2.
What are the key properties of 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone?
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 295.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 78760780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).