2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide

C16H17NO3 — CID 28561560

IUPAC2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(CO)cc2)c1
InChIInChI=1S/C16H17NO3/c1-12-3-2-4-14(9-12)17-16(19)11-20-15-7-5-13(10-18)6-8-15/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyIKSRMJWMDNNXSQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide

2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 28561560) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID28561560
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(CO)cc2)c1
InChIInChI=1S/C16H17NO3/c1-12-3-2-4-14(9-12)17-16(19)11-20-15-7-5-13(10-18)6-8-15/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyIKSRMJWMDNNXSQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide
CID 9252560
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
5-[2-(3-methylanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79789742

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide (CID 28561560) is 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccc(CO)cc2)c1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is IKSRMJWMDNNXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-3-2-4-14(9-12)17-16(19)11-20-15-7-5-13(10-18)6-8-15/h2-9,18H,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide?
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 28561560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).