3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide

C16H25N3O2 — CID 102742783

IUPAC3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
SMILESCNC(=O)c1ccc(N2CC(C)(C)OC(C)(C)C2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-15(2)9-19(10-16(3,4)21-15)13-7-6-11(8-12(13)17)14(20)18-5/h6-8H,9-10,17H2,1-5H3,(H,18,20)
InChIKeyJHLCJGSMIAKEGO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.02
Rot. Bonds2

About 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide

3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide (PubChem CID 102742783) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
PubChem CID102742783
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
SMILESCNC(=O)c1ccc(N2CC(C)(C)OC(C)(C)C2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-15(2)9-19(10-16(3,4)21-15)13-7-6-11(8-12(13)17)14(20)18-5/h6-8H,9-10,17H2,1-5H3,(H,18,20)
InChIKeyJHLCJGSMIAKEGO-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742749
3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide
CID 83000296
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
3-amino-4-(6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)-N-methylbenzamide
CID 139212995
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
CID 82992166
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
CID 102745193
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82999420
3-amino-N-methyl-4-pyrazol-1-ylbenzamide
CID 82999431
3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
CID 82989189
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide (CID 102742783) is 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide is CNC(=O)c1ccc(N2CC(C)(C)OC(C)(C)C2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide?
The InChIKey is JHLCJGSMIAKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-15(2)9-19(10-16(3,4)21-15)13-7-6-11(8-12(13)17)14(20)18-5/h6-8H,9-10,17H2,1-5H3,(H,18,20).
What are the key properties of 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide?
3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide has a molecular weight of 291.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide is sourced from PubChem (CID 102742783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).