[(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate

C21H21NO8 — CID 7634049

IUPAC[(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1OC
InChIInChI=1S/C21H21NO8/c1-26-15-6-4-3-5-14(15)22-19(23)12-29-16-8-7-13(11-18(16)27-2)20(24)30-17-9-10-28-21(17)25/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyMKMWHIMRKVTYIX-QGZVFWFLSA-N
MW415.40 g/mol
LogP2.19
Rot. Bonds8

About [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate

[(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 7634049) has the molecular formula C21H21NO8 and a molecular weight of 415.40 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID7634049
Molecular FormulaC21H21NO8
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC Name[(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1OC
InChIInChI=1S/C21H21NO8/c1-26-15-6-4-3-5-14(15)22-19(23)12-29-16-8-7-13(11-18(16)27-2)20(24)30-17-9-10-28-21(17)25/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyMKMWHIMRKVTYIX-QGZVFWFLSA-N
XLogP2.19
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate with MolForge

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Related Compounds

2-hydroxyethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 32697010
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667
2-(4-methoxyphenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441229
butyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 18289886
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
2-[4-(azetidine-1-carbonyl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 17439322
[2-(diethylamino)-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441337
[2-oxo-2-(propylamino)ethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 3375002
2-(4-chlorophenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 42965688
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55339885
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate (CID 7634049) is [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate is COc1ccccc1NC(=O)COc1ccc(C(=O)O[C@@H]2CCOC2=O)cc1OC.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is MKMWHIMRKVTYIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21NO8/c1-26-15-6-4-3-5-14(15)22-19(23)12-29-16-8-7-13(11-18(16)27-2)20(24)30-17-9-10-28-21(17)25/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,23)/t17-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate?
[(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 415.40 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7634049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).