N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide

C13H16IN3O4 — CID 137121122

IUPACN-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1cc(I)c(O)cc1O
InChIInChI=1S/C13H16IN3O4/c14-10-5-9(11(18)6-12(10)19)7-15-16-13(20)8-17-1-3-21-4-2-17/h5-7,18-19H,1-4,8H2,(H,16,20)/b15-7+
InChIKeyXFWMVMAGBUQNLC-VIZOYTHASA-N
MW405.19 g/mol
LogP0.48
Rot. Bonds4

About N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 137121122) has the molecular formula C13H16IN3O4 and a molecular weight of 405.19 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID137121122
Molecular FormulaC13H16IN3O4
Molecular Weight405.19 g/mol
Exact Mass405.02
IUPAC NameN-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1cc(I)c(O)cc1O
InChIInChI=1S/C13H16IN3O4/c14-10-5-9(11(18)6-12(10)19)7-15-16-13(20)8-17-1-3-21-4-2-17/h5-7,18-19H,1-4,8H2,(H,16,20)/b15-7+
InChIKeyXFWMVMAGBUQNLC-VIZOYTHASA-N
XLogP0.48
TPSA94.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137077970
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide
CID 126007489
2-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426552
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064455
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064453
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6877310
N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135905102
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064436
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 137121122) is N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C/c1cc(I)c(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is XFWMVMAGBUQNLC-VIZOYTHASA-N. The full InChI is InChI=1S/C13H16IN3O4/c14-10-5-9(11(18)6-12(10)19)7-15-16-13(20)8-17-1-3-21-4-2-17/h5-7,18-19H,1-4,8H2,(H,16,20)/b15-7+.
What are the key properties of N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 405.19 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxy-5-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 137121122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).