propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate

C26H32N2O6 — CID 26199007

IUPACpropyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)cc1
InChIInChI=1S/C26H32N2O6/c1-3-16-33-26(31)19-8-11-21(12-9-19)27-25(30)20-10-13-22(23(17-20)32-4-2)34-18-24(29)28-14-6-5-7-15-28/h8-13,17H,3-7,14-16,18H2,1-2H3,(H,27,30)
InChIKeyWIYNWJCIWHZIKN-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.30
Rot. Bonds10

About propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate

propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate (PubChem CID 26199007) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
PubChem CID26199007
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Namepropyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)cc1
InChIInChI=1S/C26H32N2O6/c1-3-16-33-26(31)19-8-11-21(12-9-19)27-25(30)20-10-13-22(23(17-20)32-4-2)34-18-24(29)28-14-6-5-7-15-28/h8-13,17H,3-7,14-16,18H2,1-2H3,(H,27,30)
InChIKeyWIYNWJCIWHZIKN-UHFFFAOYSA-N
XLogP4.30
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
3-ethoxy-N-(3-ethynylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55514324
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55674381
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
propyl 4-(piperidine-1-carbonylamino)benzoate
CID 79156721
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333530
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42976907
3-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55833726
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55581962
propyl 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]benzoate
CID 54812870

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate?
The IUPAC name of propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate (CID 26199007) is propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate?
The canonical SMILES for propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)cc1.
What is the InChIKey of propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate?
The InChIKey is WIYNWJCIWHZIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-3-16-33-26(31)19-8-11-21(12-9-19)27-25(30)20-10-13-22(23(17-20)32-4-2)34-18-24(29)28-14-6-5-7-15-28/h8-13,17H,3-7,14-16,18H2,1-2H3,(H,27,30).
What are the key properties of propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate?
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate has a molecular weight of 468.55 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 26199007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).