N-(3-aminophenyl)-2-morpholin-4-ylacetamide

C12H17N3O2 — CID 1073123

IUPACN-(3-aminophenyl)-2-morpholin-4-ylacetamide
SMILESNc1cccc(NC(=O)CN2CCOCC2)c1
InChIInChI=1S/C12H17N3O2/c13-10-2-1-3-11(8-10)14-12(16)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9,13H2,(H,14,16)
InChIKeyCTCWZRJPMZWANY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.54
Rot. Bonds3

About N-(3-aminophenyl)-2-morpholin-4-ylacetamide

N-(3-aminophenyl)-2-morpholin-4-ylacetamide (PubChem CID 1073123) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-morpholin-4-ylacetamide
PubChem CID1073123
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(3-aminophenyl)-2-morpholin-4-ylacetamide
SMILESNc1cccc(NC(=O)CN2CCOCC2)c1
InChIInChI=1S/C12H17N3O2/c13-10-2-1-3-11(8-10)14-12(16)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9,13H2,(H,14,16)
InChIKeyCTCWZRJPMZWANY-UHFFFAOYSA-N
XLogP0.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.54
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-(3-aminophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-morpholin-4-ylacetamide (CID 1073123) is N-(3-aminophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-morpholin-4-ylacetamide is Nc1cccc(NC(=O)CN2CCOCC2)c1.
What is the InChIKey of N-(3-aminophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is CTCWZRJPMZWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10-2-1-3-11(8-10)14-12(16)9-15-4-6-17-7-5-15/h1-3,8H,4-7,9,13H2,(H,14,16).
What are the key properties of N-(3-aminophenyl)-2-morpholin-4-ylacetamide?
N-(3-aminophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 235.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1073123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).