N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C18H22N2O3 — CID 47014543

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC(C)CCc2ccco2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C18H22N2O3/c1-11(8-9-13-5-4-10-23-13)19-18(22)17-12(2)16-14(20-17)6-3-7-15(16)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyQRGONGQEVBJTLU-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 47014543) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID47014543
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC(C)CCc2ccco2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C18H22N2O3/c1-11(8-9-13-5-4-10-23-13)19-18(22)17-12(2)16-14(20-17)6-3-7-15(16)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyQRGONGQEVBJTLU-UHFFFAOYSA-N
XLogP3.19
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Related Compounds

4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 18136913
N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32578013
N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60651355
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]benzamide
CID 39948589
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
6-(furan-2-yl)-N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 92877004
N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47037011
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 47014543) is N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NC(C)CCc2ccco2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is QRGONGQEVBJTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11(8-9-13-5-4-10-23-13)19-18(22)17-12(2)16-14(20-17)6-3-7-15(16)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 47014543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).