4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide

C19H24N2O3 — CID 95625779

IUPAC4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)[C@H](CO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-20-19(23)16-6-4-14(5-7-16)12-21(2)18(13-22)15-8-10-17(24-3)11-9-15/h4-11,18,22H,12-13H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyWONHGTGJXVQMSD-GOSISDBHSA-N
MW328.41 g/mol
LogP2.22
Rot. Bonds7

About 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 95625779) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID95625779
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)[C@H](CO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-20-19(23)16-6-4-14(5-7-16)12-21(2)18(13-22)15-8-10-17(24-3)11-9-15/h4-11,18,22H,12-13H2,1-3H3,(H,20,23)/t18-/m1/s1
InChIKeyWONHGTGJXVQMSD-GOSISDBHSA-N
XLogP2.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzonitrile
CID 95625791
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909
4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide
CID 8500043
methyl 4-[3-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-3-oxopropyl]benzoate
CID 75448004
4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 111379069
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
CID 111122600
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689792

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide (CID 95625779) is 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)[C@H](CO)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is WONHGTGJXVQMSD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-19(23)16-6-4-14(5-7-16)12-21(2)18(13-22)15-8-10-17(24-3)11-9-15/h4-11,18,22H,12-13H2,1-3H3,(H,20,23)/t18-/m1/s1.
What are the key properties of 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 328.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 95625779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).