2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide

C13H18I2N4O2 — CID 120913573

IUPAC2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1ccc(I)cc1)N1CCOCC1
InChIInChI=1S/C13H17IN4O2.HI/c14-10-1-3-11(4-2-10)17-12(19)9-16-13(15)18-5-7-20-8-6-18;/h1-4H,5-9H2,(H2,15,16)(H,17,19);1H
InChIKeyYBEMGAOBRXABAD-UHFFFAOYSA-N
MW516.12 g/mol
LogP1.49
Rot. Bonds3

About 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide

2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide (PubChem CID 120913573) has the molecular formula C13H18I2N4O2 and a molecular weight of 516.12 g/mol. Its IUPAC name is 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide
PubChem CID120913573
Molecular FormulaC13H18I2N4O2
Molecular Weight516.12 g/mol
Exact Mass515.95
IUPAC Name2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1ccc(I)cc1)N1CCOCC1
InChIInChI=1S/C13H17IN4O2.HI/c14-10-1-3-11(4-2-10)17-12(19)9-16-13(15)18-5-7-20-8-6-18;/h1-4H,5-9H2,(H2,15,16)(H,17,19);1H
InChIKeyYBEMGAOBRXABAD-UHFFFAOYSA-N
XLogP1.49
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.12
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111040430
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide
CID 120663315
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110919320
N-(4-iodophenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55355785
tert-butyl 4-[N'-[2-(4-fluoroanilino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111089332
1-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067239
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111036986
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093005

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide (CID 120913573) is 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide is I.N/C(=N\CC(=O)Nc1ccc(I)cc1)N1CCOCC1.
What is the InChIKey of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide?
The InChIKey is YBEMGAOBRXABAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4O2.HI/c14-10-1-3-11(4-2-10)17-12(19)9-16-13(15)18-5-7-20-8-6-18;/h1-4H,5-9H2,(H2,15,16)(H,17,19);1H.
What are the key properties of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide?
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide has a molecular weight of 516.12 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide is sourced from PubChem (CID 120913573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).