N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide

C18H22N2O2 — CID 86856561

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CC(C)c3ccccc32)c(C)o1
InChIInChI=1S/C18H22N2O2/c1-11-10-20(17-8-6-5-7-15(11)17)18(21)19-13(3)16-9-12(2)22-14(16)4/h5-9,11,13H,10H2,1-4H3,(H,19,21)
InChIKeyLVUFGOKCYSCVFQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.29
Rot. Bonds2

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 86856561) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID86856561
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CC(C)c3ccccc32)c(C)o1
InChIInChI=1S/C18H22N2O2/c1-11-10-20(17-8-6-5-7-15(11)17)18(21)19-13(3)16-9-12(2)22-14(16)4/h5-9,11,13H,10H2,1-4H3,(H,19,21)
InChIKeyLVUFGOKCYSCVFQ-UHFFFAOYSA-N
XLogP4.29
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide (CID 86856561) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide is Cc1cc(C(C)NC(=O)N2CC(C)c3ccccc32)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is LVUFGOKCYSCVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11-10-20(17-8-6-5-7-15(11)17)18(21)19-13(3)16-9-12(2)22-14(16)4/h5-9,11,13H,10H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 86856561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).