2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide

C13H15N3O4 — CID 108509747

IUPAC2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide
SMILESNc1ccccc1C(=O)NC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O4/c14-10-4-2-1-3-9(10)11(17)15-12(18)13(19)16-5-7-20-8-6-16/h1-4H,5-8,14H2,(H,15,17,18)
InChIKeyHACMWSBJFDDFRP-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.62
Rot. Bonds1

About 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide

2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide (PubChem CID 108509747) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide
PubChem CID108509747
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide
SMILESNc1ccccc1C(=O)NC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C13H15N3O4/c14-10-4-2-1-3-9(10)11(17)15-12(18)13(19)16-5-7-20-8-6-16/h1-4H,5-8,14H2,(H,15,17,18)
InChIKeyHACMWSBJFDDFRP-UHFFFAOYSA-N
XLogP-0.62
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide?
The IUPAC name of 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide (CID 108509747) is 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide?
The canonical SMILES for 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide is Nc1ccccc1C(=O)NC(=O)C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide?
The InChIKey is HACMWSBJFDDFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c14-10-4-2-1-3-9(10)11(17)15-12(18)13(19)16-5-7-20-8-6-16/h1-4H,5-8,14H2,(H,15,17,18).
What are the key properties of 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide?
2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide has a molecular weight of 277.28 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide is sourced from PubChem (CID 108509747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).