2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone

C18H27NO4 — CID 93191468

IUPAC2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN2CCCC2)c(OCC)c1OCC
InChIInChI=1S/C18H27NO4/c1-4-21-16-10-9-14(15(20)13-19-11-7-8-12-19)17(22-5-2)18(16)23-6-3/h9-10H,4-8,11-13H2,1-3H3
InChIKeyCOJLAMMJBMXIPB-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.16
Rot. Bonds9

About 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone

2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone (PubChem CID 93191468) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone
PubChem CID93191468
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN2CCCC2)c(OCC)c1OCC
InChIInChI=1S/C18H27NO4/c1-4-21-16-10-9-14(15(20)13-19-11-7-8-12-19)17(22-5-2)18(16)23-6-3/h9-10H,4-8,11-13H2,1-3H3
InChIKeyCOJLAMMJBMXIPB-UHFFFAOYSA-N
XLogP3.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053998
1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 82054227
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
1-[2-(2-ethoxy-5-methylphenyl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 82136178
1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 70553690
1-(2-ethoxyphenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405344
1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393674
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone?
The IUPAC name of 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone (CID 93191468) is 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone?
The canonical SMILES for 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone is CCOc1ccc(C(=O)CN2CCCC2)c(OCC)c1OCC.
What is the InChIKey of 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone?
The InChIKey is COJLAMMJBMXIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-4-21-16-10-9-14(15(20)13-19-11-7-8-12-19)17(22-5-2)18(16)23-6-3/h9-10H,4-8,11-13H2,1-3H3.
What are the key properties of 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone?
2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone has a molecular weight of 321.42 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone is sourced from PubChem (CID 93191468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).