2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide

C17H19NO3 — CID 61044662

IUPAC2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)c2ccccc2O)c1O
InChIInChI=1S/C17H19NO3/c1-11-7-6-9-14(16(11)20)17(21)18(3)12(2)13-8-4-5-10-15(13)19/h4-10,12,19-20H,1-3H3
InChIKeyBAIOCWNJRGUACM-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.24
Rot. Bonds3

About 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide

2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide (PubChem CID 61044662) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
PubChem CID61044662
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)c2ccccc2O)c1O
InChIInChI=1S/C17H19NO3/c1-11-7-6-9-14(16(11)20)17(21)18(3)12(2)13-8-4-5-10-15(13)19/h4-10,12,19-20H,1-3H3
InChIKeyBAIOCWNJRGUACM-UHFFFAOYSA-N
XLogP3.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.24
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-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
CID 62341012
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 106509859
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
CID 80666341
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
CID 61113866
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,3-dimethyl-2-nitrobenzamide
CID 32629259

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide (CID 61044662) is 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)C(C)c2ccccc2O)c1O.
What is the InChIKey of 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide?
The InChIKey is BAIOCWNJRGUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-7-6-9-14(16(11)20)17(21)18(3)12(2)13-8-4-5-10-15(13)19/h4-10,12,19-20H,1-3H3.
What are the key properties of 2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide?
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 3.24, 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,3-dimethylbenzamide is sourced from PubChem (CID 61044662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).