1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone

C16H23NO2 — CID 82054227

IUPAC1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCCOc1ccc(C(=O)CN2CCCC2)cc1CC
InChIInChI=1S/C16H23NO2/c1-3-13-11-14(7-8-16(13)19-4-2)15(18)12-17-9-5-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyGZDIVCZDMNVPQH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds6

About 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone

1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 82054227) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID82054227
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCCOc1ccc(C(=O)CN2CCCC2)cc1CC
InChIInChI=1S/C16H23NO2/c1-3-13-11-14(7-8-16(13)19-4-2)15(18)12-17-9-5-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyGZDIVCZDMNVPQH-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 82054209
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
3-bromo-1-(4-ethoxy-3-ethylphenyl)propan-1-one
CID 134624962
2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone
CID 93191468
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone (CID 82054227) is 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone is CCOc1ccc(C(=O)CN2CCCC2)cc1CC.
What is the InChIKey of 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is GZDIVCZDMNVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-11-14(7-8-16(13)19-4-2)15(18)12-17-9-5-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone?
1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 261.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 82054227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).