4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide

C19H28N2O4 — CID 133122927

IUPAC4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN2CCC3(CC2)[C@@H](O)C[C@H]3OCCO)cc1
InChIInChI=1S/C19H28N2O4/c1-20-18(24)15-4-2-14(3-5-15)13-21-8-6-19(7-9-21)16(23)12-17(19)25-11-10-22/h2-5,16-17,22-23H,6-13H2,1H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyOIVSHYAPXVFMGW-DLBZAZTESA-N
MW348.44 g/mol
LogP0.77
Rot. Bonds6

About 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide

4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide (PubChem CID 133122927) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide
PubChem CID133122927
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN2CCC3(CC2)[C@@H](O)C[C@H]3OCCO)cc1
InChIInChI=1S/C19H28N2O4/c1-20-18(24)15-4-2-14(3-5-15)13-21-8-6-19(7-9-21)16(23)12-17(19)25-11-10-22/h2-5,16-17,22-23H,6-13H2,1H3,(H,20,24)/t16-,17+/m0/s1
InChIKeyOIVSHYAPXVFMGW-DLBZAZTESA-N
XLogP0.77
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide with MolForge

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Related Compounds

(1R,3S)-7-[(5-chlorothiophen-2-yl)methyl]-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 70712874
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
2-[4-(carboxymethyl)-7-[[4-(methylcarbamoyl)phenyl]methyl]-1,4,7-triazonan-1-yl]acetic acid
CID 177187623
(1R,3S)-3-(2-aminoethoxy)-7-(2,1,3-benzothiadiazol-5-ylmethyl)-7-azaspiro[3.5]nonan-1-ol
CID 70725923
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(4-methylphenyl)ethanone
CID 111456935
N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide
CID 95176105
N-methyl-4-[(4-pyridin-2-ylpiperidin-1-yl)methyl]benzamide
CID 136517634
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
4-[4-[[(3S)-1-butyl-3-(hydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-N-methylbenzamide;hydrochloride
CID 23577529
(3aS,6aR)-2-[[4-(methylcarbamoyl)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680822
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide (CID 133122927) is 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN2CCC3(CC2)[C@@H](O)C[C@H]3OCCO)cc1.
What is the InChIKey of 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide?
The InChIKey is OIVSHYAPXVFMGW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H28N2O4/c1-20-18(24)15-4-2-14(3-5-15)13-21-8-6-19(7-9-21)16(23)12-17(19)25-11-10-22/h2-5,16-17,22-23H,6-13H2,1H3,(H,20,24)/t16-,17+/m0/s1.
What are the key properties of 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide?
4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide has a molecular weight of 348.44 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 133122927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).