N-(4-aminophenyl)-3-morpholin-4-ylpropanamide

C13H19N3O2 — CID 844901

IUPACN-(4-aminophenyl)-3-morpholin-4-ylpropanamide
SMILESNc1ccc(NC(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17)
InChIKeyPVFYJAYURTWSDF-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.93
Rot. Bonds4

About N-(4-aminophenyl)-3-morpholin-4-ylpropanamide

N-(4-aminophenyl)-3-morpholin-4-ylpropanamide (PubChem CID 844901) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-morpholin-4-ylpropanamide
PubChem CID844901
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-aminophenyl)-3-morpholin-4-ylpropanamide
SMILESNc1ccc(NC(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C13H19N3O2/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17)
InChIKeyPVFYJAYURTWSDF-UHFFFAOYSA-N
XLogP0.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(4-aminophenyl)-3-morpholin-4-ylpropanamide (CID 844901) is N-(4-aminophenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-3-morpholin-4-ylpropanamide is Nc1ccc(NC(=O)CCN2CCOCC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is PVFYJAYURTWSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11-1-3-12(4-2-11)15-13(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10,14H2,(H,15,17).
What are the key properties of N-(4-aminophenyl)-3-morpholin-4-ylpropanamide?
N-(4-aminophenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 844901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).