N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride

C19H25ClN2O2 — CID 120705127

IUPACN-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(Cc1ccccc1)CC(O)c1cccc(C)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15-7-6-10-17(11-15)18(22)14-21(19(23)12-20-2)13-16-8-4-3-5-9-16;/h3-11,18,20,22H,12-14H2,1-2H3;1H
InChIKeyHGJCXQBCRMAIPY-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.70
Rot. Bonds7

About N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride

N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120705127) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120705127
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(Cc1ccccc1)CC(O)c1cccc(C)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15-7-6-10-17(11-15)18(22)14-21(19(23)12-20-2)13-16-8-4-3-5-9-16;/h3-11,18,20,22H,12-14H2,1-2H3;1H
InChIKeyHGJCXQBCRMAIPY-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide
CID 97072110
N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
CID 119807964
N-benzyl-6-(cyclopropylamino)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 97072122
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-(2-amino-2-oxoethyl)-N-benzyl-2-(methylamino)acetamide;hydrochloride
CID 119783026
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride (CID 120705127) is N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)N(Cc1ccccc1)CC(O)c1cccc(C)c1.Cl.
What is the InChIKey of N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is HGJCXQBCRMAIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-15-7-6-10-17(11-15)18(22)14-21(19(23)12-20-2)13-16-8-4-3-5-9-16;/h3-11,18,20,22H,12-14H2,1-2H3;1H.
What are the key properties of N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride?
N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120705127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).