2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid

C27H36N2O5 — CID 70438771

IUPAC2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid
SMILESCCOc1cc(CC(=O)NC(COC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O
InChIInChI=1S/C27H36N2O5/c1-4-33-25-16-20(12-13-22(25)27(31)32)17-26(30)28-23(18-34-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,16,19,23H,4-5,8-9,14-15,17-18H2,1-3H3,(H,28,30)(H,31,32)
InChIKeyKAOABUWZVNASGN-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.60
Rot. Bonds11

About 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid

2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid (PubChem CID 70438771) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid
PubChem CID70438771
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Name2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid
SMILESCCOc1cc(CC(=O)NC(COC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O
InChIInChI=1S/C27H36N2O5/c1-4-33-25-16-20(12-13-22(25)27(31)32)17-26(30)28-23(18-34-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,16,19,23H,4-5,8-9,14-15,17-18H2,1-3H3,(H,28,30)(H,31,32)
InChIKeyKAOABUWZVNASGN-UHFFFAOYSA-N
XLogP4.60
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid with MolForge

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Related Compounds

4-[2-[[2-cyclohexyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid
CID 10648847
2-ethoxy-4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)but-3-ynylamino]ethyl]benzoic acid
CID 21261795
2-ethoxy-4-[3-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-3-oxopropyl]benzoic acid
CID 143560523
ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxoethyl]-2-ethoxybenzoate
CID 21261792
ethyl 4-[2-[[2-cyclobutyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxoethyl]-2-ethoxybenzoate
CID 10529183
ethyl 2-ethoxy-4-[2-[[3-ethoxy-1-(2-piperidin-1-ylphenyl)propyl]amino]-2-oxoethyl]benzoate
CID 152593308
2-carbamimidoyl-1,1-dimethylguanidine;2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid
CID 176540437
ethyl 2-ethoxy-4-[2-oxo-2-[[2-(oxolan-2-yl)-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]benzoate
CID 21261858
[3-(nitrooxymethyl)phenyl]methyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate
CID 118726958
2-[3-ethoxy-4-(hydroxymethyl)phenyl]-N-[phenyl-(2-piperidin-1-ylphenyl)methyl]acetamide
CID 54477020
2-(3-ethoxy-4-ethylphenyl)-N-[2-(oxolan-2-yl)-1-(2-piperidin-1-ylphenyl)ethyl]acetamide
CID 19025005
ethyl 4-[2-[[2-methoxy-1-(2-piperidin-1-ylphenyl)ethyl]amino]-2-oxoethyl]benzoate
CID 13302128

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid?
The IUPAC name of 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid (CID 70438771) is 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid?
The canonical SMILES for 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid is CCOc1cc(CC(=O)NC(COC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O.
What is the InChIKey of 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid?
The InChIKey is KAOABUWZVNASGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-4-33-25-16-20(12-13-22(25)27(31)32)17-26(30)28-23(18-34-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,16,19,23H,4-5,8-9,14-15,17-18H2,1-3H3,(H,28,30)(H,31,32).
What are the key properties of 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid?
2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid has a molecular weight of 468.59 g/mol, XLogP of 4.60, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[2-oxo-2-[[1-(2-piperidin-1-ylphenyl)-2-propan-2-yloxyethyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 70438771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).