N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide

C20H33N2O4+ — CID 7126205

IUPACN-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1
InChIInChI=1S/C20H32N2O4/c1-14(23)21-15-6-8-18(9-7-15)26-13-17(25)12-22-19(2,3)10-16(24)11-20(22,4)5/h6-9,16-17,24-25H,10-13H2,1-5H3,(H,21,23)/p+1/t17-/m1/s1
InChIKeyBNXNUWJEUXXUCR-QGZVFWFLSA-O
MW365.49 g/mol
LogP0.98
Rot. Bonds6

About N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide

N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide (PubChem CID 7126205) has the molecular formula C20H33N2O4+ and a molecular weight of 365.49 g/mol. Its IUPAC name is N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide
PubChem CID7126205
Molecular FormulaC20H33N2O4+
Molecular Weight365.49 g/mol
Exact Mass365.24
IUPAC NameN-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1
InChIInChI=1S/C20H32N2O4/c1-14(23)21-15-6-8-18(9-7-15)26-13-17(25)12-22-19(2,3)10-16(24)11-20(22,4)5/h6-9,16-17,24-25H,10-13H2,1-5H3,(H,21,23)/p+1/t17-/m1/s1
InChIKeyBNXNUWJEUXXUCR-QGZVFWFLSA-O
XLogP0.98
TPSA83.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2S)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide
CID 7126207
N-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide
CID 7166476
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
N-[4-[(2S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 6966060
N-[4-[3-(4-ethylphenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 42958085
1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-2,2,6,6-tetramethylpiperidin-1-ium-4-ol
CID 7025102
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7187889
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
N-[4-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 51422964
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide (CID 7126205) is N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)cc1.
What is the InChIKey of N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide?
The InChIKey is BNXNUWJEUXXUCR-QGZVFWFLSA-O. The full InChI is InChI=1S/C20H32N2O4/c1-14(23)21-15-6-8-18(9-7-15)26-13-17(25)12-22-19(2,3)10-16(24)11-20(22,4)5/h6-9,16-17,24-25H,10-13H2,1-5H3,(H,21,23)/p+1/t17-/m1/s1.
What are the key properties of N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide?
N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide has a molecular weight of 365.49 g/mol, XLogP of 0.98, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-hydroxy-3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 7126205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).