N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide

C25H24N4O2 — CID 166223466

IUPACN-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NC(C(=O)Nc3ccc(C)cc3)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C25H24N4O2/c1-16-8-10-19(11-9-16)28-25(31)23(17-6-4-3-5-7-17)27-20-12-13-21-18(14-20)15-22(29-21)24(30)26-2/h3-15,23,27,29H,1-2H3,(H,26,30)(H,28,31)
InChIKeyDQQUEFRNECHOLG-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.63
Rot. Bonds6

About N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide

N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide (PubChem CID 166223466) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide
PubChem CID166223466
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NC(C(=O)Nc3ccc(C)cc3)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C25H24N4O2/c1-16-8-10-19(11-9-16)28-25(31)23(17-6-4-3-5-7-17)27-20-12-13-21-18(14-20)15-22(29-21)24(30)26-2/h3-15,23,27,29H,1-2H3,(H,26,30)(H,28,31)
InChIKeyDQQUEFRNECHOLG-UHFFFAOYSA-N
XLogP4.63
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxo-1-phenylethyl)-6-methyl-1H-indole-2-carboxamide
CID 55963560
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide
CID 46799402
5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide
CID 10368587
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
CID 167951270
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 130426379

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide (CID 166223466) is N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(NC(C(=O)Nc3ccc(C)cc3)c3ccccc3)ccc2[nH]1.
What is the InChIKey of N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide?
The InChIKey is DQQUEFRNECHOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-8-10-19(11-9-16)28-25(31)23(17-6-4-3-5-7-17)27-20-12-13-21-18(14-20)15-22(29-21)24(30)26-2/h3-15,23,27,29H,1-2H3,(H,26,30)(H,28,31).
What are the key properties of N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide?
N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 166223466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).