5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide

C16H19N3O2 — CID 107733000

IUPAC5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C)c1ccc(N)cc1C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C16H19N3O2/c1-18(2)15-9-4-11(17)10-14(15)16(21)19(3)12-5-7-13(20)8-6-12/h4-10,20H,17H2,1-3H3
InChIKeyRGJMGUVKNQOQHK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.32
Rot. Bonds3

About 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide

5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107733000) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide
PubChem CID107733000
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C)c1ccc(N)cc1C(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C16H19N3O2/c1-18(2)15-9-4-11(17)10-14(15)16(21)19(3)12-5-7-13(20)8-6-12/h4-10,20H,17H2,1-3H3
InChIKeyRGJMGUVKNQOQHK-UHFFFAOYSA-N
XLogP2.32
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 61106135
5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
CID 79478168
5-amino-N-(4-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107733029
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61114708
5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
CID 61095752
5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide
CID 62983322
benzyl 5-amino-2-(dimethylamino)benzoate
CID 61310016
2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide
CID 106934261
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107734400
5-amino-2-(dimethylamino)-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61110537

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide (CID 107733000) is 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide is CN(C)c1ccc(N)cc1C(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is RGJMGUVKNQOQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(2)15-9-4-11(17)10-14(15)16(21)19(3)12-5-7-13(20)8-6-12/h4-10,20H,17H2,1-3H3.
What are the key properties of 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide?
5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107733000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).