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

C20H22N2O5 — CID 15999116

IUPACN-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(OC)cc3OC)c2C1=O
InChIInChI=1S/C20H22N2O5/c1-25-10-9-22-12-13-5-4-6-15(18(13)20(22)24)19(23)21-16-8-7-14(26-2)11-17(16)27-3/h4-8,11H,9-10,12H2,1-3H3,(H,21,23)
InChIKeyIXRBVOFLZNFUKX-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.56
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 15999116) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID15999116
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(OC)cc3OC)c2C1=O
InChIInChI=1S/C20H22N2O5/c1-25-10-9-22-12-13-5-4-6-15(18(13)20(22)24)19(23)21-16-8-7-14(26-2)11-17(16)27-3/h4-8,11H,9-10,12H2,1-3H3,(H,21,23)
InChIKeyIXRBVOFLZNFUKX-UHFFFAOYSA-N
XLogP2.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3239814
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-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261885
N-(2,5-difluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 46253865
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 22594208
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 18104674

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 15999116) is N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccc(OC)cc3OC)c2C1=O.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is IXRBVOFLZNFUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-10-9-22-12-13-5-4-6-15(18(13)20(22)24)19(23)21-16-8-7-14(26-2)11-17(16)27-3/h4-8,11H,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15999116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).