2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide

C13H19N3O2 — CID 58805152

IUPAC2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCOCC2)cc1N
InChIInChI=1S/C13H19N3O2/c1-15(2)13(17)11-4-3-10(9-12(11)14)16-5-7-18-8-6-16/h3-4,9H,5-8,14H2,1-2H3
InChIKeyMIBWMAQVUBROFL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.81
Rot. Bonds2

About 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide

2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide (PubChem CID 58805152) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide
PubChem CID58805152
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCOCC2)cc1N
InChIInChI=1S/C13H19N3O2/c1-15(2)13(17)11-4-3-10(9-12(11)14)16-5-7-18-8-6-16/h3-4,9H,5-8,14H2,1-2H3
InChIKeyMIBWMAQVUBROFL-UHFFFAOYSA-N
XLogP0.81
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
6-amino-N,N-dimethyl-4-morpholin-4-ylpyridine-2-carboxamide;ethane
CID 143049453
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline
CID 178058840
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
2-N,2-N-dimethyl-4-morpholin-4-ylpyridine-2,5-dicarboxamide
CID 175198510
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
2-amino-4-thiomorpholin-4-ylbenzoic acid
CID 104500038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide?
The IUPAC name of 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide (CID 58805152) is 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide?
The canonical SMILES for 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide is CN(C)C(=O)c1ccc(N2CCOCC2)cc1N.
What is the InChIKey of 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide?
The InChIKey is MIBWMAQVUBROFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)13(17)11-4-3-10(9-12(11)14)16-5-7-18-8-6-16/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide?
2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 58805152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).