3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one

C13H19N3O2 — CID 113411257

IUPAC3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
SMILESNc1cccc(NCCC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H19N3O2/c14-11-2-1-3-12(10-11)15-5-4-13(17)16-6-8-18-9-7-16/h1-3,10,15H,4-9,14H2
InChIKeyARUQEMOFECSFSE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.93
Rot. Bonds4

About 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one

3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one (PubChem CID 113411257) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
PubChem CID113411257
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
SMILESNc1cccc(NCCC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H19N3O2/c14-11-2-1-3-12(10-11)15-5-4-13(17)16-6-8-18-9-7-16/h1-3,10,15H,4-9,14H2
InChIKeyARUQEMOFECSFSE-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
3-(3-amino-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 106749558
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013384
4-amino-3-[(3-morpholin-4-yl-3-oxopropyl)amino]benzonitrile
CID 104712293
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
6-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115579964
2-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115578372
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115597294

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one (CID 113411257) is 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one is Nc1cccc(NCCC(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is ARUQEMOFECSFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11-2-1-3-12(10-11)15-5-4-13(17)16-6-8-18-9-7-16/h1-3,10,15H,4-9,14H2.
What are the key properties of 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one?
3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one 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 3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 113411257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).