(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide

C19H26N2O2 — CID 98897341

IUPAC(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccc3c(c1)CCO3)C2
InChIInChI=1S/C19H26N2O2/c1-20-18(22)16-3-2-7-19(16)8-9-21(13-19)12-14-4-5-17-15(11-14)6-10-23-17/h4-5,11,16H,2-3,6-10,12-13H2,1H3,(H,20,22)/t16-,19+/m0/s1
InChIKeyICWKIBFULSGUCC-QFBILLFUSA-N
MW314.43 g/mol
LogP2.36
Rot. Bonds3

About (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide

(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 98897341) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID98897341
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccc3c(c1)CCO3)C2
InChIInChI=1S/C19H26N2O2/c1-20-18(22)16-3-2-7-19(16)8-9-21(13-19)12-14-4-5-17-15(11-14)6-10-23-17/h4-5,11,16H,2-3,6-10,12-13H2,1H3,(H,20,22)/t16-,19+/m0/s1
InChIKeyICWKIBFULSGUCC-QFBILLFUSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 131643082
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
(2S)-N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125175405
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984704
6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467539
(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896192
N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 131663959
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743
methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 9126421
(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95275456
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-4-methylazepane
CID 122139654

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide (CID 98897341) is (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide is CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccc3c(c1)CCO3)C2.
What is the InChIKey of (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is ICWKIBFULSGUCC-QFBILLFUSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-20-18(22)16-3-2-7-19(16)8-9-21(13-19)12-14-4-5-17-15(11-14)6-10-23-17/h4-5,11,16H,2-3,6-10,12-13H2,1H3,(H,20,22)/t16-,19+/m0/s1.
What are the key properties of (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 98897341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).