5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one

C17H20N2O2 — CID 43496622

IUPAC5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
SMILESCCCNC(c1ccc2c(c1)CC(=O)N2)c1ccc(C)o1
InChIInChI=1S/C17H20N2O2/c1-3-8-18-17(15-7-4-11(2)21-15)12-5-6-14-13(9-12)10-16(20)19-14/h4-7,9,17-18H,3,8,10H2,1-2H3,(H,19,20)
InChIKeyLCEWANHTXSNWKD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.17
Rot. Bonds5

About 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one

5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 43496622) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID43496622
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
SMILESCCCNC(c1ccc2c(c1)CC(=O)N2)c1ccc(C)o1
InChIInChI=1S/C17H20N2O2/c1-3-8-18-17(15-7-4-11(2)21-15)12-5-6-14-13(9-12)10-16(20)19-14/h4-7,9,17-18H,3,8,10H2,1-2H3,(H,19,20)
InChIKeyLCEWANHTXSNWKD-UHFFFAOYSA-N
XLogP3.17
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 62277062
5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one
CID 43496647
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43498090
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696
4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
CID 82349920
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
6-chloro-5-[methylamino-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43487538
5-[(5-ethylfuran-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 79096703
5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one
CID 43491531

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one (CID 43496622) is 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one is CCCNC(c1ccc2c(c1)CC(=O)N2)c1ccc(C)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is LCEWANHTXSNWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-8-18-17(15-7-4-11(2)21-15)12-5-6-14-13(9-12)10-16(20)19-14/h4-7,9,17-18H,3,8,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one?
5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43496622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).