sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate

C20H20NNaO5 — CID 67585552

IUPACsodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
SMILESCCOc1cc(C(CC(=O)[O-])N2Cc3ccccc3C2=O)ccc1OC.[Na+]
InChIInChI=1S/C20H21NO5.Na/c1-3-26-18-10-13(8-9-17(18)25-2)16(11-19(22)23)21-12-14-6-4-5-7-15(14)20(21)24;/h4-10,16H,3,11-12H2,1-2H3,(H,22,23);/q;+1/p-1
InChIKeyIFOLENJLTJSODY-UHFFFAOYSA-M
MW377.37 g/mol
LogP-1.07
Rot. Bonds7

About sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate

sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate (PubChem CID 67585552) has the molecular formula C20H20NNaO5 and a molecular weight of 377.37 g/mol. Its IUPAC name is sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate.

Molecular Properties

Compound Namesodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
PubChem CID67585552
Molecular FormulaC20H20NNaO5
Molecular Weight377.37 g/mol
Exact Mass377.12
IUPAC Namesodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
SMILESCCOc1cc(C(CC(=O)[O-])N2Cc3ccccc3C2=O)ccc1OC.[Na+]
InChIInChI=1S/C20H21NO5.Na/c1-3-26-18-10-13(8-9-17(18)25-2)16(11-19(22)23)21-12-14-6-4-5-7-15(14)20(21)24;/h4-10,16H,3,11-12H2,1-2H3,(H,22,23);/q;+1/p-1
InChIKeyIFOLENJLTJSODY-UHFFFAOYSA-M
XLogP-1.07
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide;ethane
CID 144962077
(3R)-3-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92691037
2-[1-(4-ethoxy-3-methoxyphenyl)-4-(1,2-oxazol-3-yl)-3-oxobutyl]-3H-isoindol-1-one
CID 59636977
2-[1-(3,4-dimethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
CID 46278125
2-[1-(3,4-diethoxyphenyl)-3-methylbutyl]-3H-isoindol-1-one
CID 22596158
ethyl 2-[[(3R)-3-(4-ethoxy-3-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]acetate
CID 92723066
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92691111
2-[1-(3,4-dimethoxyphenyl)-3-methoxybut-3-enyl]-3H-isoindol-1-one
CID 142801469
2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-isoindol-1-one
CID 10222178
2-[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3H-isoindol-1-one
CID 92723016
(3S)-3-(4-ethoxy-3-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92723043
3-(4-ethoxy-3-methoxyphenyl)-N-(3-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46278196

Frequently Asked Questions

What is the IUPAC name of sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate?
The IUPAC name of sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate (CID 67585552) is sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate.
What is the SMILES notation for sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate?
The canonical SMILES for sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate is CCOc1cc(C(CC(=O)[O-])N2Cc3ccccc3C2=O)ccc1OC.[Na+].
What is the InChIKey of sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate?
The InChIKey is IFOLENJLTJSODY-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21NO5.Na/c1-3-26-18-10-13(8-9-17(18)25-2)16(11-19(22)23)21-12-14-6-4-5-7-15(14)20(21)24;/h4-10,16H,3,11-12H2,1-2H3,(H,22,23);/q;+1/p-1.
What are the key properties of sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate?
sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate has a molecular weight of 377.37 g/mol, XLogP of -1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(3-ethoxy-4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate is sourced from PubChem (CID 67585552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).