3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C26H33N3O5 — CID 55724935

IUPAC3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c1
InChIInChI=1S/C26H33N3O5/c1-3-27-25(31)20-10-8-9-19(15-20)17-28-26(32)21-11-12-22(23(16-21)33-4-2)34-18-24(30)29-13-6-5-7-14-29/h8-12,15-16H,3-7,13-14,17-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyUOQXHBPOTBEBJC-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.16
Rot. Bonds10

About 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 55724935) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID55724935
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c1
InChIInChI=1S/C26H33N3O5/c1-3-27-25(31)20-10-8-9-19(15-20)17-28-26(32)21-11-12-22(23(16-21)33-4-2)34-18-24(30)29-13-6-5-7-14-29/h8-12,15-16H,3-7,13-14,17-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyUOQXHBPOTBEBJC-UHFFFAOYSA-N
XLogP3.16
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
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-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 55339765
3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55514324
4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide
CID 167805072
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46570210
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate
CID 96508175

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 55724935) is 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCNC(=O)c1cccc(CNC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)c1.
What is the InChIKey of 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is UOQXHBPOTBEBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-3-27-25(31)20-10-8-9-19(15-20)17-28-26(32)21-11-12-22(23(16-21)33-4-2)34-18-24(30)29-13-6-5-7-14-29/h8-12,15-16H,3-7,13-14,17-18H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 467.57 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 55724935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).