4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide

C19H24N2O3 — CID 111379069

IUPAC4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H24N2O3/c1-20-19(23)15-9-7-14(8-10-15)12-21(2)13-18(22)16-5-4-6-17(11-16)24-3/h4-11,18,22H,12-13H2,1-3H3,(H,20,23)
InChIKeyOMQJTGHYEOIPNN-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.22
Rot. Bonds7

About 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 111379069) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID111379069
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H24N2O3/c1-20-19(23)15-9-7-14(8-10-15)12-21(2)13-18(22)16-5-4-6-17(11-16)24-3/h4-11,18,22H,12-13H2,1-3H3,(H,20,23)
InChIKeyOMQJTGHYEOIPNN-UHFFFAOYSA-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

methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 95625779
1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111512470
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 95628605
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
CID 26679644

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide (CID 111379069) is 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(O)c2cccc(OC)c2)cc1.
What is the InChIKey of 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is OMQJTGHYEOIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-19(23)15-9-7-14(8-10-15)12-21(2)13-18(22)16-5-4-6-17(11-16)24-3/h4-11,18,22H,12-13H2,1-3H3,(H,20,23).
What are the key properties of 4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-hydroxy-2-(3-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-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111379069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).