ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate

C23H34N2O7 — CID 55726487

IUPACethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1
InChIInChI=1S/C23H34N2O7/c1-4-30-20-15-18(23(28)25(13-14-29-3)16-22(27)31-5-2)9-10-19(20)32-17-21(26)24-11-7-6-8-12-24/h9-10,15H,4-8,11-14,16-17H2,1-3H3
InChIKeyLXOAJRCGJOIDON-UHFFFAOYSA-N
MW450.53 g/mol
LogP2.13
Rot. Bonds12

About ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate (PubChem CID 55726487) has the molecular formula C23H34N2O7 and a molecular weight of 450.53 g/mol. Its IUPAC name is ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate
PubChem CID55726487
Molecular FormulaC23H34N2O7
Molecular Weight450.53 g/mol
Exact Mass450.24
IUPAC Nameethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1
InChIInChI=1S/C23H34N2O7/c1-4-30-20-15-18(23(28)25(13-14-29-3)16-22(27)31-5-2)9-10-19(20)32-17-21(26)24-11-7-6-8-12-24/h9-10,15H,4-8,11-14,16-17H2,1-3H3
InChIKeyLXOAJRCGJOIDON-UHFFFAOYSA-N
XLogP2.13
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate with MolForge

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Related Compounds

2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 43033984
N-(1-aminopropan-2-yl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119582017
trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate
CID 96508175
(2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 100641368
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
CID 26199007
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452795
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
N-(2-anilino-2-oxoethyl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46425050

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate (CID 55726487) is ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1.
What is the InChIKey of ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is LXOAJRCGJOIDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O7/c1-4-30-20-15-18(23(28)25(13-14-29-3)16-22(27)31-5-2)9-10-19(20)32-17-21(26)24-11-7-6-8-12-24/h9-10,15H,4-8,11-14,16-17H2,1-3H3.
What are the key properties of ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 450.53 g/mol, XLogP of 2.13, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 55726487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).