2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide

C22H23N3O3 — CID 108872669

IUPAC2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)N3c4ccccc4CC3C)cc2C1=O
InChIInChI=1S/C22H23N3O3/c1-13(2)12-24-20(26)17-9-8-16(11-18(17)21(24)27)23-22(28)25-14(3)10-15-6-4-5-7-19(15)25/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,28)
InChIKeyVYHJMYXFGNVBGV-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.92
Rot. Bonds3

About 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide

2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 108872669) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID108872669
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)N3c4ccccc4CC3C)cc2C1=O
InChIInChI=1S/C22H23N3O3/c1-13(2)12-24-20(26)17-9-8-16(11-18(17)21(24)27)23-22(28)25-14(3)10-15-6-4-5-7-19(15)25/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,28)
InChIKeyVYHJMYXFGNVBGV-UHFFFAOYSA-N
XLogP3.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108873784
2,6-dimethyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide
CID 108872588
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
N-(3-hydroxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108895859
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866632
N-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108889946
2-[4-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopentan-2-yl]isoindole-1,3-dione
CID 110838972
(2S)-N-(4-chloro-3-nitrophenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 27516763
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 108869872
4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide
CID 108872673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide (CID 108872669) is 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide is CC(C)CN1C(=O)c2ccc(NC(=O)N3c4ccccc4CC3C)cc2C1=O.
What is the InChIKey of 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is VYHJMYXFGNVBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13(2)12-24-20(26)17-9-8-16(11-18(17)21(24)27)23-22(28)25-14(3)10-15-6-4-5-7-19(15)25/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,28).
What are the key properties of 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide?
2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 108872669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).