N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

C22H22N2O3 — CID 56562184

IUPACN-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)c(O)c1
InChIInChI=1S/C22H22N2O3/c1-14-7-8-18(20(25)11-14)23-22(26)17-9-10-27-21(17)13-24-15(2)12-16-5-3-4-6-19(16)24/h3-11,15,25H,12-13H2,1-2H3,(H,23,26)
InChIKeyQJSKUJHKVKQZCX-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.50
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (PubChem CID 56562184) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
PubChem CID56562184
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)c(O)c1
InChIInChI=1S/C22H22N2O3/c1-14-7-8-18(20(25)11-14)23-22(26)17-9-10-27-21(17)13-24-15(2)12-16-5-3-4-6-19(16)24/h3-11,15,25H,12-13H2,1-2H3,(H,23,26)
InChIKeyQJSKUJHKVKQZCX-UHFFFAOYSA-N
XLogP4.50
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (CID 56562184) is N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is Cc1ccc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?
The InChIKey is QJSKUJHKVKQZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-7-8-18(20(25)11-14)23-22(26)17-9-10-27-21(17)13-24-15(2)12-16-5-3-4-6-19(16)24/h3-11,15,25H,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?
N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 56562184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).