2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride

C17H25ClN2O4 — CID 154917317

IUPAC2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CC3(CCNCC3)CO2)c(O)c1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-22-12-2-3-14(15(20)8-12)16(21)19-10-13-9-17(11-23-13)4-6-18-7-5-17;/h2-3,8,13,18,20H,4-7,9-11H2,1H3,(H,19,21);1H
InChIKeyGRYZTVISQFKEFW-UHFFFAOYSA-N
MW356.85 g/mol
LogP1.71
Rot. Bonds4

About 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride

2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride (PubChem CID 154917317) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
PubChem CID154917317
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CC3(CCNCC3)CO2)c(O)c1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-22-12-2-3-14(15(20)8-12)16(21)19-10-13-9-17(11-23-13)4-6-18-7-5-17;/h2-3,8,13,18,20H,4-7,9-11H2,1H3,(H,19,21);1H
InChIKeyGRYZTVISQFKEFW-UHFFFAOYSA-N
XLogP1.71
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154918040
6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide
CID 171909285
2-hydroxy-4-methoxy-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761721
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 82732421
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 114317332
N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
6,8-dimethoxy-4-methyl-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)quinolin-2-amine;hydrochloride
CID 154915409
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride (CID 154917317) is 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride is COc1ccc(C(=O)NCC2CC3(CCNCC3)CO2)c(O)c1.Cl.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is GRYZTVISQFKEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-22-12-2-3-14(15(20)8-12)16(21)19-10-13-9-17(11-23-13)4-6-18-7-5-17;/h2-3,8,13,18,20H,4-7,9-11H2,1H3,(H,19,21);1H.
What are the key properties of 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride?
2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 154917317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).