2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

C16H17NO3 — CID 61042835

IUPAC2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccccc1O
InChIInChI=1S/C16H17NO3/c1-11(12-7-3-5-9-14(12)18)17(2)16(20)13-8-4-6-10-15(13)19/h3-11,18-19H,1-2H3
InChIKeyVCYRTMXTSRUHCN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.93
Rot. Bonds3

About 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 61042835) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
PubChem CID61042835
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccccc1O
InChIInChI=1S/C16H17NO3/c1-11(12-7-3-5-9-14(12)18)17(2)16(20)13-8-4-6-10-15(13)19/h3-11,18-19H,1-2H3
InChIKeyVCYRTMXTSRUHCN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 106509859
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
CID 61113866
4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 63798305
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (CID 61042835) is 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1O)N(C)C(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is VCYRTMXTSRUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(12-7-3-5-9-14(12)18)17(2)16(20)13-8-4-6-10-15(13)19/h3-11,18-19H,1-2H3.
What are the key properties of 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
2-hydroxy-N-[1-(2-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 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 61042835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).