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

C20H22N2O3 — CID 3238535

IUPACN-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2C1=O
InChIInChI=1S/C20H22N2O3/c1-13-7-8-16(11-14(13)2)21-19(23)17-6-4-5-15-12-22(9-10-25-3)20(24)18(15)17/h4-8,11H,9-10,12H2,1-3H3,(H,21,23)
InChIKeyDUVLIDKOLYZHCO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.16
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 3238535) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID3238535
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2C1=O
InChIInChI=1S/C20H22N2O3/c1-13-7-8-16(11-14(13)2)21-19(23)17-6-4-5-15-12-22(9-10-25-3)20(24)18(15)17/h4-8,11H,9-10,12H2,1-3H3,(H,21,23)
InChIKeyDUVLIDKOLYZHCO-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46253514
2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3239814
N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15999116
2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261895
2-(2-methoxyethyl)-3-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-isoindole-4-carboxamide
CID 3245754
N-(2,4-dichlorophenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15991016
N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3242240
2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261885
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46968435
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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 3238535) is N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2C1=O.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is DUVLIDKOLYZHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-7-8-16(11-14(13)2)21-19(23)17-6-4-5-15-12-22(9-10-25-3)20(24)18(15)17/h4-8,11H,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3238535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).