N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide

C13H19N3O2 — CID 859542

IUPACN-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-10-2-3-11(14)8-12(10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9,14H2,1H3,(H,15,17)
InChIKeyKETHASQTAHQNMY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide

N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide (PubChem CID 859542) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide
PubChem CID859542
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-10-2-3-11(14)8-12(10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9,14H2,1H3,(H,15,17)
InChIKeyKETHASQTAHQNMY-UHFFFAOYSA-N
XLogP0.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
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 N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide (CID 859542) is N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide is Cc1ccc(N)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide?
The InChIKey is KETHASQTAHQNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-2-3-11(14)8-12(10)15-13(17)9-16-4-6-18-7-5-16/h2-3,8H,4-7,9,14H2,1H3,(H,15,17).
What are the key properties of N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide?
N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 859542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).