N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide

C13H20N2O2 — CID 175744058

IUPACN-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide
SMILESCC(=O)N[C@H](CO)c1ccc(CN(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(17)14-13(9-16)12-6-4-11(5-7-12)8-15(2)3/h4-7,13,16H,8-9H2,1-3H3,(H,14,17)/t13-/m1/s1
InChIKeyFFBVKXMRHRICRK-CYBMUJFWSA-N
MW236.31 g/mol
LogP0.92
Rot. Bonds5

About N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide

N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide (PubChem CID 175744058) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide
PubChem CID175744058
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide
SMILESCC(=O)N[C@H](CO)c1ccc(CN(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(17)14-13(9-16)12-6-4-11(5-7-12)8-15(2)3/h4-7,13,16H,8-9H2,1-3H3,(H,14,17)/t13-/m1/s1
InChIKeyFFBVKXMRHRICRK-CYBMUJFWSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]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-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide
CID 110441189
N-[(1S)-1-[2-(dimethylamino)-4-pyridinyl]-2-hydroxyethyl]acetamide
CID 175744077
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
CID 86931913
2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
CID 110004204
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
CID 142863332
3-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butanoic acid
CID 82543013
1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110903342
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide (CID 175744058) is N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide is CC(=O)N[C@H](CO)c1ccc(CN(C)C)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide?
The InChIKey is FFBVKXMRHRICRK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(17)14-13(9-16)12-6-4-11(5-7-12)8-15(2)3/h4-7,13,16H,8-9H2,1-3H3,(H,14,17)/t13-/m1/s1.
What are the key properties of N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide?
N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-hydroxyethyl]acetamide is sourced from PubChem (CID 175744058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).