N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide

C17H19NO3 — CID 78933839

IUPACN-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
SMILESC[C@H](O)c1ccccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(19)15-9-5-6-10-16(15)21-12-17(20)18-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyKQLZHPFKKWPBIS-ZDUSSCGKSA-N
MW285.34 g/mol
LogP2.44
Rot. Bonds6

About N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide

N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide (PubChem CID 78933839) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
PubChem CID78933839
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
SMILESC[C@H](O)c1ccccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(19)15-9-5-6-10-16(15)21-12-17(20)18-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyKQLZHPFKKWPBIS-ZDUSSCGKSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]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-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18153975
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide (CID 78933839) is N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide is C[C@H](O)c1ccccc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The InChIKey is KQLZHPFKKWPBIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(19)15-9-5-6-10-16(15)21-12-17(20)18-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide is sourced from PubChem (CID 78933839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).