3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione

C23H24N2O3 — CID 134840302

IUPAC3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)C2(O)c1ccccc1N
InChIInChI=1S/C23H24N2O3/c1-22(2)12-18-20(19(26)13-22)23(28,16-10-6-7-11-17(16)24)21(27)25(18)14-15-8-4-3-5-9-15/h3-11,28H,12-14,24H2,1-2H3
InChIKeyOIRMAMZUGQRUAE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.14
Rot. Bonds3

About 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione

3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione (PubChem CID 134840302) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione
PubChem CID134840302
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)C2(O)c1ccccc1N
InChIInChI=1S/C23H24N2O3/c1-22(2)12-18-20(19(26)13-22)23(28,16-10-6-7-11-17(16)24)21(27)25(18)14-15-8-4-3-5-9-15/h3-11,28H,12-14,24H2,1-2H3
InChIKeyOIRMAMZUGQRUAE-UHFFFAOYSA-N
XLogP3.14
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1'-benzyl-7,7-dimethyl-2',5-dioxo-1-phenylspiro[6,8-dihydroquinoline-4,3'-indole]-3-carbonitrile
CID 132580145
N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
CID 40818028
N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phenylpropanamide
CID 2222331
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phenylpropanamide
CID 2222332
(3aS,8bS)-3,4-dibenzyl-6,6,8b-trimethyl-1,3a,5,7-tetrahydropyrrolo[2,3-b]indole-2,8-dione
CID 10549730
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide
CID 92651711
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide
CID 2023554
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]thiophene-2-carboxamide
CID 2223493
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methoxybenzamide
CID 92651801
10-benzyl-9-(3,5-dibromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126053807
(3R)-3-(1,3-benzothiazol-2-ylamino)-1-benzyl-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
CID 92651751
(4R,4aR,9aS)-9-benzyl-4-hydroxy-2,7,7-trimethyl-3,4,4a,6,8,9a-hexahydro-1H-pyrido[3,4-b]indol-5-one
CID 11887386

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione?
The IUPAC name of 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione (CID 134840302) is 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione.
What is the SMILES notation for 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione?
The canonical SMILES for 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione is CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(=O)C2(O)c1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione?
The InChIKey is OIRMAMZUGQRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-22(2)12-18-20(19(26)13-22)23(28,16-10-6-7-11-17(16)24)21(27)25(18)14-15-8-4-3-5-9-15/h3-11,28H,12-14,24H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione?
3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-benzyl-3-hydroxy-6,6-dimethyl-5,7-dihydroindole-2,4-dione is sourced from PubChem (CID 134840302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).