N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide

C17H20N2O2 — CID 86880325

IUPACN-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
SMILESCCN(C)c1cccc(NC(=O)c2cccc(C)c2O)c1
InChIInChI=1S/C17H20N2O2/c1-4-19(3)14-9-6-8-13(11-14)18-17(21)15-10-5-7-12(2)16(15)20/h5-11,20H,4H2,1-3H3,(H,18,21)
InChIKeyLDBOFVFGVGQNES-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds4

About N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide

N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide (PubChem CID 86880325) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
PubChem CID86880325
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
SMILESCCN(C)c1cccc(NC(=O)c2cccc(C)c2O)c1
InChIInChI=1S/C17H20N2O2/c1-4-19(3)14-9-6-8-13(11-14)18-17(21)15-10-5-7-12(2)16(15)20/h5-11,20H,4H2,1-3H3,(H,18,21)
InChIKeyLDBOFVFGVGQNES-UHFFFAOYSA-N
XLogP3.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
CID 47089077
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
CID 140508292
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide (CID 86880325) is N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide is CCN(C)c1cccc(NC(=O)c2cccc(C)c2O)c1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is LDBOFVFGVGQNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-19(3)14-9-6-8-13(11-14)18-17(21)15-10-5-7-12(2)16(15)20/h5-11,20H,4H2,1-3H3,(H,18,21).
What are the key properties of N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide?
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 86880325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).