N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

C18H18N2O3 — CID 19832367

IUPACN-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C
InChIInChI=1S/C18H18N2O3/c1-10-8-12(21)5-7-14(10)19-16(22)11-4-6-13-15(9-11)20-17(23)18(13,2)3/h4-9,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyPJMFMFMZFYGCAZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.18
Rot. Bonds2

About N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (PubChem CID 19832367) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
PubChem CID19832367
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C
InChIInChI=1S/C18H18N2O3/c1-10-8-12(21)5-7-14(10)19-16(22)11-4-6-13-15(9-11)20-17(23)18(13,2)3/h4-9,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyPJMFMFMZFYGCAZ-UHFFFAOYSA-N
XLogP3.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 19832350
3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide
CID 19832303
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 57261046
3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide
CID 19832363
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218
3-amino-N-(4-hydroxy-2-methylphenyl)-4-methoxybenzamide
CID 110468878
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 115694821
N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 166326596
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
CID 108796510

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (CID 19832367) is N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is Cc1cc(O)ccc1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The InChIKey is PJMFMFMZFYGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10-8-12(21)5-7-14(10)19-16(22)11-4-6-13-15(9-11)20-17(23)18(13,2)3/h4-9,21H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is sourced from PubChem (CID 19832367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).