2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide

C13H19N3O2 — CID 55133406

IUPAC2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
SMILESCC1(C)CN(c2ccc(N)c(C(N)=O)c2)CCO1
InChIInChI=1S/C13H19N3O2/c1-13(2)8-16(5-6-18-13)9-3-4-11(14)10(7-9)12(15)17/h3-4,7H,5-6,8,14H2,1-2H3,(H2,15,17)
InChIKeyQIUVGCMXMZBAQQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds2

About 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide

2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide (PubChem CID 55133406) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
PubChem CID55133406
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
SMILESCC1(C)CN(c2ccc(N)c(C(N)=O)c2)CCO1
InChIInChI=1S/C13H19N3O2/c1-13(2)8-16(5-6-18-13)9-3-4-11(14)10(7-9)12(15)17/h3-4,7H,5-6,8,14H2,1-2H3,(H2,15,17)
InChIKeyQIUVGCMXMZBAQQ-UHFFFAOYSA-N
XLogP0.98
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide?
The IUPAC name of 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide (CID 55133406) is 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide.
What is the SMILES notation for 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide?
The canonical SMILES for 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide is CC1(C)CN(c2ccc(N)c(C(N)=O)c2)CCO1.
What is the InChIKey of 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide?
The InChIKey is QIUVGCMXMZBAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)8-16(5-6-18-13)9-3-4-11(14)10(7-9)12(15)17/h3-4,7H,5-6,8,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide?
2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide is sourced from PubChem (CID 55133406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).