ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate

C23H26N2O5 — CID 70005902

IUPACethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1=O
InChIInChI=1S/C23H26N2O5/c1-2-29-23(28)16-30-20-15-18(24-21(26)14-17-8-4-3-5-9-17)11-12-19(20)25-13-7-6-10-22(25)27/h3-5,8-9,11-12,15H,2,6-7,10,13-14,16H2,1H3,(H,24,26)
InChIKeyHRVAZODCKMRHHZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.33
Rot. Bonds8

About ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate

ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate (PubChem CID 70005902) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate
PubChem CID70005902
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Nameethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1=O
InChIInChI=1S/C23H26N2O5/c1-2-29-23(28)16-30-20-15-18(24-21(26)14-17-8-4-3-5-9-17)11-12-19(20)25-13-7-6-10-22(25)27/h3-5,8-9,11-12,15H,2,6-7,10,13-14,16H2,1H3,(H,24,26)
InChIKeyHRVAZODCKMRHHZ-UHFFFAOYSA-N
XLogP3.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate with MolForge

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18140046
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686974
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7687436
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55692006
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(2-ethylphenoxy)acetate
CID 55468169
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 166386885

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate (CID 70005902) is ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate is CCOC(=O)COc1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1=O.
What is the InChIKey of ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate?
The InChIKey is HRVAZODCKMRHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-2-29-23(28)16-30-20-15-18(24-21(26)14-17-8-4-3-5-9-17)11-12-19(20)25-13-7-6-10-22(25)27/h3-5,8-9,11-12,15H,2,6-7,10,13-14,16H2,1H3,(H,24,26).
What are the key properties of ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate?
ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate has a molecular weight of 410.47 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate is sourced from PubChem (CID 70005902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).