3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C24H30N2O5 — CID 55457672

IUPAC3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC(O)c2ccccc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C24H30N2O5/c1-2-30-22-15-19(24(29)25-16-20(27)18-9-5-3-6-10-18)11-12-21(22)31-17-23(28)26-13-7-4-8-14-26/h3,5-6,9-12,15,20,27H,2,4,7-8,13-14,16-17H2,1H3,(H,25,29)
InChIKeyLTKYWJPDARQATK-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.94
Rot. Bonds9

About 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 55457672) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID55457672
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC(O)c2ccccc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C24H30N2O5/c1-2-30-22-15-19(24(29)25-16-20(27)18-9-5-3-6-10-18)11-12-21(22)31-17-23(28)26-13-7-4-8-14-26/h3,5-6,9-12,15,20,27H,2,4,7-8,13-14,16-17H2,1H3,(H,25,29)
InChIKeyLTKYWJPDARQATK-UHFFFAOYSA-N
XLogP2.94
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975908
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46823944
2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
CID 119163603
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 41113364
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46570210
(2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 100641368
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 55457672) is 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)NCC(O)c2ccccc2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is LTKYWJPDARQATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-2-30-22-15-19(24(29)25-16-20(27)18-9-5-3-6-10-18)11-12-21(22)31-17-23(28)26-13-7-4-8-14-26/h3,5-6,9-12,15,20,27H,2,4,7-8,13-14,16-17H2,1H3,(H,25,29).
What are the key properties of 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 426.51 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 55457672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).