N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H22N2O2 — CID 123797704

IUPACN-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1C2CNCC21)C1COc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(2,13-9-21-14-6-4-3-5-10(13)14)19-16(20)15-11-7-18-8-12(11)15/h3-6,11-13,15,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyJRNJSWDAFXQXCU-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.52
Rot. Bonds3

About N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 123797704) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID123797704
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1C2CNCC21)C1COc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(2,13-9-21-14-6-4-3-5-10(13)14)19-16(20)15-11-7-18-8-12(11)15/h3-6,11-13,15,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyJRNJSWDAFXQXCU-UHFFFAOYSA-N
XLogP1.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123585198
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
(1R,5S)-N-[2-(1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294248
N-(1-amino-2-cyclopropylpropan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 81486749
N-(1-amino-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106164175
N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103945735
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123773817
N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123608431
N-(2-bromo-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107156608
(5R)-N-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175368389
(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294066
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103840148

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 123797704) is N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1C2CNCC21)C1COc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JRNJSWDAFXQXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,13-9-21-14-6-4-3-5-10(13)14)19-16(20)15-11-7-18-8-12(11)15/h3-6,11-13,15,18H,7-9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 123797704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).