N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide

C23H24N4O4 — CID 67023299

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
SMILESCc1ccc(NC(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cc1C
InChIInChI=1S/C23H24N4O4/c1-13-3-6-18(9-14(13)2)24-23(31)26-21(29)15-4-5-16-11-27(12-17(16)10-15)19-7-8-20(28)25-22(19)30/h3-6,9-10,19H,7-8,11-12H2,1-2H3,(H,25,28,30)(H2,24,26,29,31)
InChIKeyMGQSCBQVRRYVFK-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.39
Rot. Bonds3

About N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide

N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide (PubChem CID 67023299) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
PubChem CID67023299
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
SMILESCc1ccc(NC(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cc1C
InChIInChI=1S/C23H24N4O4/c1-13-3-6-18(9-14(13)2)24-23(31)26-21(29)15-4-5-16-11-27(12-17(16)10-15)19-7-8-20(28)25-22(19)30/h3-6,9-10,19H,7-8,11-12H2,1-2H3,(H,25,28,30)(H2,24,26,29,31)
InChIKeyMGQSCBQVRRYVFK-UHFFFAOYSA-N
XLogP2.39
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023304
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236
N-[(2,4-dichlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023326
N-[3-(diethylamino)propylcarbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 66589503
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide
CID 67023218
2-(2,6-dioxopiperidin-3-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]carbamothioyl]-1,3-dihydroisoindole-5-carboxamide
CID 87240350
2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229489
2-(2,6-dioxopiperidin-3-yl)-N-(6-ethoxypyridine-3-carbonyl)-1,3-dihydroisoindole-5-carboxamide
CID 67023167
2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229967
N-[(4-chlorophenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-4-carboxamide
CID 67228934
3-(6,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-2,6-dione
CID 154688358
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide (CID 67023299) is N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide is Cc1ccc(NC(=O)NC(=O)c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is MGQSCBQVRRYVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-13-3-6-18(9-14(13)2)24-23(31)26-21(29)15-4-5-16-11-27(12-17(16)10-15)19-7-8-20(28)25-22(19)30/h3-6,9-10,19H,7-8,11-12H2,1-2H3,(H,25,28,30)(H2,24,26,29,31).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 67023299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).