(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate

C19H16N2O6 — CID 110670967

IUPAC(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N2O6/c1-26-14-8-4-5-9-15(14)27-17(23)10-20-16(22)11-21-18(24)12-6-2-3-7-13(12)19(21)25/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyCDSGNPJSLAMFIK-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.01
Rot. Bonds6

About (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate

(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate (PubChem CID 110670967) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
PubChem CID110670967
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N2O6/c1-26-14-8-4-5-9-15(14)27-17(23)10-20-16(22)11-21-18(24)12-6-2-3-7-13(12)19(21)25/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyCDSGNPJSLAMFIK-UHFFFAOYSA-N
XLogP1.01
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670277
methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 101433212
(4-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670574
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
CID 9017553
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methoxyphenyl)acetamide
CID 110776571
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017557

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate?
The IUPAC name of (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate (CID 110670967) is (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate?
The canonical SMILES for (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate is COc1ccccc1OC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate?
The InChIKey is CDSGNPJSLAMFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-26-14-8-4-5-9-15(14)27-17(23)10-20-16(22)11-21-18(24)12-6-2-3-7-13(12)19(21)25/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate?
(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate has a molecular weight of 368.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate is sourced from PubChem (CID 110670967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).