N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide

C16H18N2O3 — CID 90582320

IUPACN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
SMILESCN1CCc2cc(C(O)CNC(=O)c3ccoc3)ccc21
InChIInChI=1S/C16H18N2O3/c1-18-6-4-11-8-12(2-3-14(11)18)15(19)9-17-16(20)13-5-7-21-10-13/h2-3,5,7-8,10,15,19H,4,6,9H2,1H3,(H,17,20)
InChIKeyOFMZRSGBOQTNGU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.74
Rot. Bonds4

About N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide (PubChem CID 90582320) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
PubChem CID90582320
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
SMILESCN1CCc2cc(C(O)CNC(=O)c3ccoc3)ccc21
InChIInChI=1S/C16H18N2O3/c1-18-6-4-11-8-12(2-3-14(11)18)15(19)9-17-16(20)13-5-7-21-10-13/h2-3,5,7-8,10,15,19H,4,6,9H2,1H3,(H,17,20)
InChIKeyOFMZRSGBOQTNGU-UHFFFAOYSA-N
XLogP1.74
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzamide
CID 90582148
3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide
CID 171130531
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129373691
4-bromo-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide
CID 129373695
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90582177
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 90582281
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,4-dimethoxybenzamide
CID 90582226
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide (CID 90582320) is N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide is CN1CCc2cc(C(O)CNC(=O)c3ccoc3)ccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide?
The InChIKey is OFMZRSGBOQTNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18-6-4-11-8-12(2-3-14(11)18)15(19)9-17-16(20)13-5-7-21-10-13/h2-3,5,7-8,10,15,19H,4,6,9H2,1H3,(H,17,20).
What are the key properties of N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide?
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 90582320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).