N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide

C16H17NO3 — CID 60629869

IUPACN-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C16H17NO3/c1-12-5-7-15(8-6-12)20-11-16(19)17-14-4-2-3-13(9-14)10-18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyPVIYLFIQWOIRQL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.50
Rot. Bonds5

About N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide

N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide (PubChem CID 60629869) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
PubChem CID60629869
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C16H17NO3/c1-12-5-7-15(8-6-12)20-11-16(19)17-14-4-2-3-13(9-14)10-18/h2-9,18H,10-11H2,1H3,(H,17,19)
InChIKeyPVIYLFIQWOIRQL-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-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112988313
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-(3-ethylphenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028344
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
CID 60659461
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 920459
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113000525

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide (CID 60629869) is N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccc(CO)c2)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is PVIYLFIQWOIRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-5-7-15(8-6-12)20-11-16(19)17-14-4-2-3-13(9-14)10-18/h2-9,18H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide?
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)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 N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 60629869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).