2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide

C14H21N3O2 — CID 115545096

IUPAC2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide
SMILESCCC1COC(C)CN1c1cccc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O2/c1-3-10-8-19-9(2)7-17(10)12-6-4-5-11(13(12)15)14(16)18/h4-6,9-10H,3,7-8,15H2,1-2H3,(H2,16,18)
InChIKeyQDOJQVCDJADTHX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.37
Rot. Bonds3

About 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide

2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide (PubChem CID 115545096) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide
PubChem CID115545096
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide
SMILESCCC1COC(C)CN1c1cccc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O2/c1-3-10-8-19-9(2)7-17(10)12-6-4-5-11(13(12)15)14(16)18/h4-6,9-10H,3,7-8,15H2,1-2H3,(H2,16,18)
InChIKeyQDOJQVCDJADTHX-UHFFFAOYSA-N
XLogP1.37
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.37
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-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide?
The IUPAC name of 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide (CID 115545096) is 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide.
What is the SMILES notation for 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide?
The canonical SMILES for 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide is CCC1COC(C)CN1c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide?
The InChIKey is QDOJQVCDJADTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-10-8-19-9(2)7-17(10)12-6-4-5-11(13(12)15)14(16)18/h4-6,9-10H,3,7-8,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide?
2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide is sourced from PubChem (CID 115545096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).