N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide

C17H20N2O2 — CID 82808670

IUPACN-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
SMILESCCNCc1cccc(NC(=O)c2cccc(O)c2C)c1
InChIInChI=1S/C17H20N2O2/c1-3-18-11-13-6-4-7-14(10-13)19-17(21)15-8-5-9-16(20)12(15)2/h4-10,18,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyVEVWYKOBPCJGIH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide

N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide (PubChem CID 82808670) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
PubChem CID82808670
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
SMILESCCNCc1cccc(NC(=O)c2cccc(O)c2C)c1
InChIInChI=1S/C17H20N2O2/c1-3-18-11-13-6-4-7-14(10-13)19-17(21)15-8-5-9-16(20)12(15)2/h4-10,18,20H,3,11H2,1-2H3,(H,19,21)
InChIKeyVEVWYKOBPCJGIH-UHFFFAOYSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82827341
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
CID 107732035
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119438335
N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119438297
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454
3-hydroxy-2-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909988
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
CID 43601289

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide (CID 82808670) is N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide is CCNCc1cccc(NC(=O)c2cccc(O)c2C)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is VEVWYKOBPCJGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-18-11-13-6-4-7-14(10-13)19-17(21)15-8-5-9-16(20)12(15)2/h4-10,18,20H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide?
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82808670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).