2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide

C11H16N4O — CID 163721411

IUPAC2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide
SMILES[H]/N=C(\C(N)=C(C)O)N(C)Nc1ccccc1
InChIInChI=1S/C11H16N4O/c1-8(16)10(12)11(13)15(2)14-9-6-4-3-5-7-9/h3-7,13-14,16H,12H2,1-2H3/b10-8?,13-11+
InChIKeyHYZNFXRGAUMFKY-XRAJXRDMSA-N
MW220.28 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide

2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide (PubChem CID 163721411) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide.

Molecular Properties

Compound Name2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide
PubChem CID163721411
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide
SMILES[H]/N=C(\C(N)=C(C)O)N(C)Nc1ccccc1
InChIInChI=1S/C11H16N4O/c1-8(16)10(12)11(13)15(2)14-9-6-4-3-5-7-9/h3-7,13-14,16H,12H2,1-2H3/b10-8?,13-11+
InChIKeyHYZNFXRGAUMFKY-XRAJXRDMSA-N
XLogP1.67
TPSA85.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide?
The IUPAC name of 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide (CID 163721411) is 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide.
What is the SMILES notation for 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide?
The canonical SMILES for 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide is [H]/N=C(\C(N)=C(C)O)N(C)Nc1ccccc1.
What is the InChIKey of 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide?
The InChIKey is HYZNFXRGAUMFKY-XRAJXRDMSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(16)10(12)11(13)15(2)14-9-6-4-3-5-7-9/h3-7,13-14,16H,12H2,1-2H3/b10-8?,13-11+.
What are the key properties of 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide?
2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide has a molecular weight of 220.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-anilino-3-hydroxy-N-methylbut-2-enimidamide is sourced from PubChem (CID 163721411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).