N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

C21H19N3O3 — CID 39354797

IUPACN-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2C1=O
InChIInChI=1S/C21H19N3O3/c1-12(2)11-24-20(26)16-6-4-14(9-17(16)21(24)27)19(25)23-15-5-3-13-7-8-22-18(13)10-15/h3-10,12,22H,11H2,1-2H3,(H,23,25)
InChIKeyMHCDHXQYUCDNGT-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.67
Rot. Bonds4

About N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 39354797) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID39354797
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2C1=O
InChIInChI=1S/C21H19N3O3/c1-12(2)11-24-20(26)16-6-4-14(9-17(16)21(24)27)19(25)23-15-5-3-13-7-8-22-18(13)10-15/h3-10,12,22H,11H2,1-2H3,(H,23,25)
InChIKeyMHCDHXQYUCDNGT-UHFFFAOYSA-N
XLogP3.67
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362321
N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9320739
4-[[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]benzamide
CID 108872649
tert-butyl N-[3-[4-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919833
2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 2232250
N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108540249
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-(2,5-dimethoxyphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 1330294
5-methyl-2-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 7309248
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108751632
1-(4-bromophenyl)-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872403

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 39354797) is N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2C1=O.
What is the InChIKey of N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MHCDHXQYUCDNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-12(2)11-24-20(26)16-6-4-14(9-17(16)21(24)27)19(25)23-15-5-3-13-7-8-22-18(13)10-15/h3-10,12,22H,11H2,1-2H3,(H,23,25).
What are the key properties of N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 39354797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).