2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide

C19H20N2O4 — CID 3239814

IUPAC2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccccc3OC)c2C1=O
InChIInChI=1S/C19H20N2O4/c1-24-11-10-21-12-13-6-5-7-14(17(13)19(21)23)18(22)20-15-8-3-4-9-16(15)25-2/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyBQDWLVJOBPZLRD-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.55
Rot. Bonds6

About 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 3239814) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID3239814
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccccc3OC)c2C1=O
InChIInChI=1S/C19H20N2O4/c1-24-11-10-21-12-13-6-5-7-14(17(13)19(21)23)18(22)20-15-8-3-4-9-16(15)25-2/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyBQDWLVJOBPZLRD-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15999116
N-(2,4-dichlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15991016
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46253514
2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide
CID 3245754
N-(2,5-difluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 46253865
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261885
ethyl (3R)-3-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 92661379
N-(3-chloro-4-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-1H-isoindole-4-carboxamide
CID 122175063
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46968435

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 3239814) is 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccccc3OC)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is BQDWLVJOBPZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-11-10-21-12-13-6-5-7-14(17(13)19(21)23)18(22)20-15-8-3-4-9-16(15)25-2/h3-9H,10-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3239814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).