N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C17H19N3O4 — CID 74245235

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)C1CC(=O)OC12CCCC2
InChIInChI=1S/C17H19N3O4/c1-20(10-11-4-5-13-14(8-11)19-24-18-13)16(22)12-9-15(21)23-17(12)6-2-3-7-17/h4-5,8,12H,2-3,6-7,9-10H2,1H3
InChIKeySTNBIYSQGAEWCC-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.06
Rot. Bonds3

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 74245235) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID74245235
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)C1CC(=O)OC12CCCC2
InChIInChI=1S/C17H19N3O4/c1-20(10-11-4-5-13-14(8-11)19-24-18-13)16(22)12-9-15(21)23-17(12)6-2-3-7-17/h4-5,8,12H,2-3,6-7,9-10H2,1H3
InChIKeySTNBIYSQGAEWCC-UHFFFAOYSA-N
XLogP2.06
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-oxo-N-[(4-phenoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131905559
N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131893148
N,N-diethyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 2836718
(3R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97191126
1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 131922182
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide
CID 118774253
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-methoxyacetyl)-N-methylpiperidine-4-carboxamide
CID 74249390
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124853248
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-cyclopropyl-N,4-dimethylpyrimidine-5-carboxamide
CID 50960897
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 70763824
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45167949
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97203898

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 74245235) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is CN(Cc1ccc2nonc2c1)C(=O)C1CC(=O)OC12CCCC2.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is STNBIYSQGAEWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-20(10-11-4-5-13-14(8-11)19-24-18-13)16(22)12-9-15(21)23-17(12)6-2-3-7-17/h4-5,8,12H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 74245235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).