2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride

C17H25ClN2O4 — CID 154918040

IUPAC2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1cccc(O)c1C(=O)NCC1CC2(CCNCC2)CO1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-22-14-4-2-3-13(20)15(14)16(21)19-10-12-9-17(11-23-12)5-7-18-8-6-17;/h2-4,12,18,20H,5-11H2,1H3,(H,19,21);1H
InChIKeySKUOJJPYFARHFZ-UHFFFAOYSA-N
MW356.85 g/mol
LogP1.71
Rot. Bonds4

About 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride

2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride (PubChem CID 154918040) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
PubChem CID154918040
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1cccc(O)c1C(=O)NCC1CC2(CCNCC2)CO1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-22-14-4-2-3-13(20)15(14)16(21)19-10-12-9-17(11-23-12)5-7-18-8-6-17;/h2-4,12,18,20H,5-11H2,1H3,(H,19,21);1H
InChIKeySKUOJJPYFARHFZ-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-4-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride
CID 154917317
tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate
CID 99933957
6-chloro-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)-2-oxochromene-3-carboxamide
CID 171909285
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124
2-hydroxy-3-methoxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696306
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
5-(4-chlorophenyl)-3-(2-oxa-8-azaspiro[4.5]decan-3-ylmethylamino)-1,2-oxazole-4-carboxylic acid
CID 135109736
N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892746

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride (CID 154918040) is 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride is COc1cccc(O)c1C(=O)NCC1CC2(CCNCC2)CO1.Cl.
What is the InChIKey of 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is SKUOJJPYFARHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-22-14-4-2-3-13(20)15(14)16(21)19-10-12-9-17(11-23-12)5-7-18-8-6-17;/h2-4,12,18,20H,5-11H2,1H3,(H,19,21);1H.
What are the key properties of 2-hydroxy-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride?
2-hydroxy-6-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-6-methoxy-N-(2-oxa-8-azaspiro[4.5]decan-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 154918040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).