2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one

C14H18N4O2 — CID 123288102

IUPAC2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one
SMILES[H]/N=C(\C=N\c1ccccc1)C(N)C(=O)N1CCOCC1
InChIInChI=1S/C14H18N4O2/c15-12(10-17-11-4-2-1-3-5-11)13(16)14(19)18-6-8-20-9-7-18/h1-5,10,13,15H,6-9,16H2/b15-12+,17-10+
InChIKeyAZPFFUDCIYLASI-CEPRGINBSA-N
MW274.32 g/mol
LogP0.59
Rot. Bonds4

About 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one

2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one (PubChem CID 123288102) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one.

Molecular Properties

Compound Name2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one
PubChem CID123288102
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one
SMILES[H]/N=C(\C=N\c1ccccc1)C(N)C(=O)N1CCOCC1
InChIInChI=1S/C14H18N4O2/c15-12(10-17-11-4-2-1-3-5-11)13(16)14(19)18-6-8-20-9-7-18/h1-5,10,13,15H,6-9,16H2/b15-12+,17-10+
InChIKeyAZPFFUDCIYLASI-CEPRGINBSA-N
XLogP0.59
TPSA91.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one?
The IUPAC name of 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one (CID 123288102) is 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one.
What is the SMILES notation for 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one?
The canonical SMILES for 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one is [H]/N=C(\C=N\c1ccccc1)C(N)C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one?
The InChIKey is AZPFFUDCIYLASI-CEPRGINBSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-12(10-17-11-4-2-1-3-5-11)13(16)14(19)18-6-8-20-9-7-18/h1-5,10,13,15H,6-9,16H2/b15-12+,17-10+.
What are the key properties of 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one?
2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one has a molecular weight of 274.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one is sourced from PubChem (CID 123288102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).