3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C25H33N3O3 — CID 170260610

IUPAC3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H33N3O3/c1-6-7-8-18(23(30)26-17-11-9-15(2)10-12-17)28-24(31)22-16(3)21-19(27-22)13-25(4,5)14-20(21)29/h9-12,18,27H,6-8,13-14H2,1-5H3,(H,26,30)(H,28,31)
InChIKeyJFEBNUREVIQKQY-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.71
Rot. Bonds7

About 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 170260610) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID170260610
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H33N3O3/c1-6-7-8-18(23(30)26-17-11-9-15(2)10-12-17)28-24(31)22-16(3)21-19(27-22)13-25(4,5)14-20(21)29/h9-12,18,27H,6-8,13-14H2,1-5H3,(H,26,30)(H,28,31)
InChIKeyJFEBNUREVIQKQY-UHFFFAOYSA-N
XLogP4.71
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[1-[2-(difluoromethyl)anilino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 156745828
N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170259994
N-[1-[(2-hydroxyphenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170260060
3,6,6-trimethyl-4-oxo-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
CID 156745829
methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate
CID 156745807
N-[1-[[cyclopropyl(phenyl)methyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170264245
N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170262879
3,6,6-trimethyl-4-oxo-N-[(2S)-1-oxo-1-[(4-piperidin-1-ylphenyl)methylamino]hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
CID 170259668
4-hydroxy-3,6,6-trimethyl-N-[1-oxo-1-[2-(trifluoromethyl)anilino]hexan-2-yl]-1,4,5,7-tetrahydroindole-2-carboxamide
CID 170260241
N-(3-iodo-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43020407
N-(3-chloro-4-methylphenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 43018595
N-(1,3-benzodioxol-5-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 36676045

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 170260610) is 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is JFEBNUREVIQKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-6-7-8-18(23(30)26-17-11-9-15(2)10-12-17)28-24(31)22-16(3)21-19(27-22)13-25(4,5)14-20(21)29/h9-12,18,27H,6-8,13-14H2,1-5H3,(H,26,30)(H,28,31).
What are the key properties of 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 170260610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).