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

C18H20N2O3 — CID 171130531

IUPAC3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide
SMILESCN1CCc2cc(C(O)CNC(=O)C=Cc3ccoc3)ccc21
InChIInChI=1S/C18H20N2O3/c1-20-8-6-14-10-15(3-4-16(14)20)17(21)11-19-18(22)5-2-13-7-9-23-12-13/h2-5,7,9-10,12,17,21H,6,8,11H2,1H3,(H,19,22)
InChIKeyPKCLOKZZZLSCCG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.13
Rot. Bonds5

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

3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide (PubChem CID 171130531) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide
PubChem CID171130531
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide
SMILESCN1CCc2cc(C(O)CNC(=O)C=Cc3ccoc3)ccc21
InChIInChI=1S/C18H20N2O3/c1-20-8-6-14-10-15(3-4-16(14)20)17(21)11-19-18(22)5-2-13-7-9-23-12-13/h2-5,7,9-10,12,17,21H,6,8,11H2,1H3,(H,19,22)
InChIKeyPKCLOKZZZLSCCG-UHFFFAOYSA-N
XLogP2.13
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
CID 90582320
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(furan-3-yl)prop-2-enamide
CID 72717738
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]prop-2-enamide
CID 97416926
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-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
(E)-3-(furan-3-yl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]prop-2-enamide
CID 99873619
4-cyano-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzamide
CID 90582148
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
1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
CID 129373790

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide (CID 171130531) is 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide is CN1CCc2cc(C(O)CNC(=O)C=Cc3ccoc3)ccc21.
What is the InChIKey of 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide?
The InChIKey is PKCLOKZZZLSCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20-8-6-14-10-15(3-4-16(14)20)17(21)11-19-18(22)5-2-13-7-9-23-12-13/h2-5,7,9-10,12,17,21H,6,8,11H2,1H3,(H,19,22).
What are the key properties of 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide?
3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 171130531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).