N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

C17H18N2O2 — CID 106954312

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)C2Cc3ccccc3N2)c(C)cc1O
InChIInChI=1S/C17H18N2O2/c1-10-8-16(20)11(2)7-14(10)19-17(21)15-9-12-5-3-4-6-13(12)18-15/h3-8,15,18,20H,9H2,1-2H3,(H,19,21)
InChIKeyMXUSXANCGGKZLL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.98
Rot. Bonds2

About N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide

N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 106954312) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID106954312
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)C2Cc3ccccc3N2)c(C)cc1O
InChIInChI=1S/C17H18N2O2/c1-10-8-16(20)11(2)7-14(10)19-17(21)15-9-12-5-3-4-6-13(12)18-15/h3-8,15,18,20H,9H2,1-2H3,(H,19,21)
InChIKeyMXUSXANCGGKZLL-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.98
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

N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
(2S)-N-(5-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178266
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929
N-(3-hydroxy-2,4-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76887740
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76951044
(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149245
N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567402
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
(2S)-N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 62813197
methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861590
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 110860613
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 106954312) is N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1cc(NC(=O)C2Cc3ccccc3N2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is MXUSXANCGGKZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-8-16(20)11(2)7-14(10)19-17(21)15-9-12-5-3-4-6-13(12)18-15/h3-8,15,18,20H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 106954312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).