N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

C16H16N2O3 — CID 22730890

IUPACN-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCC1CC(=O)c2c(C(=O)Nc3ccc(O)cc3)c[nH]c2C1
InChIInChI=1S/C16H16N2O3/c1-9-6-13-15(14(20)7-9)12(8-17-13)16(21)18-10-2-4-11(19)5-3-10/h2-5,8-9,17,19H,6-7H2,1H3,(H,18,21)
InChIKeyGAMPSXPVBALFCE-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.74
Rot. Bonds2

About N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (PubChem CID 22730890) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
PubChem CID22730890
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCC1CC(=O)c2c(C(=O)Nc3ccc(O)cc3)c[nH]c2C1
InChIInChI=1S/C16H16N2O3/c1-9-6-13-15(14(20)7-9)12(8-17-13)16(21)18-10-2-4-11(19)5-3-10/h2-5,8-9,17,19H,6-7H2,1H3,(H,18,21)
InChIKeyGAMPSXPVBALFCE-UHFFFAOYSA-N
XLogP2.74
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.74
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

(6R)-N-(2-fluorophenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 160519100
6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane
CID 91352681
4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid
CID 15337628
(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95554626
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
(7S)-N-(4-ethoxyphenyl)-7-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraene-12-carboxamide
CID 90745020
N-(4-ethoxyphenyl)-7-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraene-12-carboxamide
CID 91492436
N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 59917838
N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 59983939
2-acetyl-N-(4-hydroxyphenyl)benzamide
CID 71011787
N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495570
N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550021

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (CID 22730890) is N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is CC1CC(=O)c2c(C(=O)Nc3ccc(O)cc3)c[nH]c2C1.
What is the InChIKey of N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The InChIKey is GAMPSXPVBALFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-6-13-15(14(20)7-9)12(8-17-13)16(21)18-10-2-4-11(19)5-3-10/h2-5,8-9,17,19H,6-7H2,1H3,(H,18,21).
What are the key properties of N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 22730890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).