2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide

C21H24N2O4 — CID 134048762

IUPAC2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESCCOc1ccc(C2CCCN2C(=O)c2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-26-17-10-8-15(9-11-17)19-7-4-12-23(19)21(25)16-5-3-6-18(13-16)27-14-20(22)24/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H2,22,24)
InChIKeyHJSIKMLUVFJUIT-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.93
Rot. Bonds7

About 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide

2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide (PubChem CID 134048762) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
PubChem CID134048762
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
SMILESCCOc1ccc(C2CCCN2C(=O)c2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-26-17-10-8-15(9-11-17)19-7-4-12-23(19)21(25)16-5-3-6-18(13-16)27-14-20(22)24/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H2,22,24)
InChIKeyHJSIKMLUVFJUIT-UHFFFAOYSA-N
XLogP2.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 95569382
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
CID 51270971
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
2-[3-[2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 134048765
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide (CID 134048762) is 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide is CCOc1ccc(C2CCCN2C(=O)c2cccc(OCC(N)=O)c2)cc1.
What is the InChIKey of 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is HJSIKMLUVFJUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-26-17-10-8-15(9-11-17)19-7-4-12-23(19)21(25)16-5-3-6-18(13-16)27-14-20(22)24/h3,5-6,8-11,13,19H,2,4,7,12,14H2,1H3,(H2,22,24).
What are the key properties of 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide?
2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 134048762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).