3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide

C17H20N2O2 — CID 63324723

IUPAC3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2cc(C)ccc2O)c1
InChIInChI=1S/C17H20N2O2/c1-11-4-7-16(20)14(8-11)10-19-15-9-13(17(21)18-3)6-5-12(15)2/h4-9,19-20H,10H2,1-3H3,(H,18,21)
InChIKeySFLRRDJQGMRVKX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds4

About 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide

3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide (PubChem CID 63324723) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
PubChem CID63324723
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2cc(C)ccc2O)c1
InChIInChI=1S/C17H20N2O2/c1-11-4-7-16(20)14(8-11)10-19-15-9-13(17(21)18-3)6-5-12(15)2/h4-9,19-20H,10H2,1-3H3,(H,18,21)
InChIKeySFLRRDJQGMRVKX-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 43740066
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
3-[(2-hydroxyphenyl)methylamino]-4-methylbenzoic acid
CID 43727465
3-[(5-bromo-2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726850
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methoxybenzoic acid
CID 63743460
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
N,4-dimethyl-3-(thiophen-3-ylmethylamino)benzamide
CID 43726886
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide (CID 63324723) is 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NCc2cc(C)ccc2O)c1.
What is the InChIKey of 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide?
The InChIKey is SFLRRDJQGMRVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-4-7-16(20)14(8-11)10-19-15-9-13(17(21)18-3)6-5-12(15)2/h4-9,19-20H,10H2,1-3H3,(H,18,21).
What are the key properties of 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide?
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide is sourced from PubChem (CID 63324723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).