3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide

C16H17NO3 — CID 61044546

IUPAC3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C16H17NO3/c1-11(12-6-8-14(18)9-7-12)17(2)16(20)13-4-3-5-15(19)10-13/h3-11,18-19H,1-2H3
InChIKeyJZKKVHRDJVUXFL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.93
Rot. Bonds3

About 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide

3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 61044546) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
PubChem CID61044546
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C16H17NO3/c1-11(12-6-8-14(18)9-7-12)17(2)16(20)13-4-3-5-15(19)10-13/h3-11,18-19H,1-2H3
InChIKeyJZKKVHRDJVUXFL-UHFFFAOYSA-N
XLogP2.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043700
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 61043579
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 61044427
3-(difluoromethoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75869929
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide (CID 61044546) is 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide is CC(c1ccc(O)cc1)N(C)C(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is JZKKVHRDJVUXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(12-6-8-14(18)9-7-12)17(2)16(20)13-4-3-5-15(19)10-13/h3-11,18-19H,1-2H3.
What are the key properties of 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide?
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 61044546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).