N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide

C18H22N2O2 — CID 17403152

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)CCC2)N(C)Cc1ccco1
InChIInChI=1S/C18H22N2O2/c1-13(20(2)12-17-7-4-10-22-17)18(21)19-16-9-8-14-5-3-6-15(14)11-16/h4,7-11,13H,3,5-6,12H2,1-2H3,(H,19,21)
InChIKeyNDAFCWPQYVSGOC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide (PubChem CID 17403152) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
PubChem CID17403152
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)CCC2)N(C)Cc1ccco1
InChIInChI=1S/C18H22N2O2/c1-13(20(2)12-17-7-4-10-22-17)18(21)19-16-9-8-14-5-3-6-15(14)11-16/h4,7-11,13H,3,5-6,12H2,1-2H3,(H,19,21)
InChIKeyNDAFCWPQYVSGOC-UHFFFAOYSA-N
XLogP3.23
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
CID 51171787
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 17490556
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920009
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 17402856
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41037360
2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
CID 62638284
N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl]-2-methylpropanamide
CID 42815648
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide (CID 17403152) is N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide is CC(C(=O)Nc1ccc2c(c1)CCC2)N(C)Cc1ccco1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
The InChIKey is NDAFCWPQYVSGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(20(2)12-17-7-4-10-22-17)18(21)19-16-9-8-14-5-3-6-15(14)11-16/h4,7-11,13H,3,5-6,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[furan-2-ylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 17403152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).