2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide

C17H19NO3 — CID 63364236

IUPAC2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc([C@@H](C)O)cc2)c1
InChIInChI=1S/C17H19NO3/c1-12-4-3-5-15(10-12)18-17(20)11-21-16-8-6-14(7-9-16)13(2)19/h3-10,13,19H,11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyCNISXGOLJCEUQX-CYBMUJFWSA-N
MW285.34 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 63364236) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID63364236
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc([C@@H](C)O)cc2)c1
InChIInChI=1S/C17H19NO3/c1-12-4-3-5-15(10-12)18-17(20)11-21-16-8-6-14(7-9-16)13(2)19/h3-10,13,19H,11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyCNISXGOLJCEUQX-CYBMUJFWSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364131
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 7314126
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide
CID 78933587
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 63364236) is 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccc([C@@H](C)O)cc2)c1.
What is the InChIKey of 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is CNISXGOLJCEUQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-4-3-5-15(10-12)18-17(20)11-21-16-8-6-14(7-9-16)13(2)19/h3-10,13,19H,11H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 285.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 63364236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).