N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

C18H26N4O6 — CID 155566054

IUPACN'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1O
InChIInChI=1S/C18H26N4O6/c1-26-14-10-13(11-15(27-2)16(14)23)12-20-21-18(25)17(24)19-4-3-5-22-6-8-28-9-7-22/h10-12,23H,3-9H2,1-2H3,(H,19,24)(H,21,25)/b20-12+
InChIKeyLTZWEUOCRYYXRT-UDWIEESQSA-N
MW394.43 g/mol
LogP-0.30
Rot. Bonds8

About N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 155566054) has the molecular formula C18H26N4O6 and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID155566054
Molecular FormulaC18H26N4O6
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC NameN'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1O
InChIInChI=1S/C18H26N4O6/c1-26-14-10-13(11-15(27-2)16(14)23)12-20-21-18(25)17(24)19-4-3-5-22-6-8-28-9-7-22/h10-12,23H,3-9H2,1-2H3,(H,19,24)(H,21,25)/b20-12+
InChIKeyLTZWEUOCRYYXRT-UDWIEESQSA-N
XLogP-0.30
TPSA121.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 155566054) is N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is COc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1O.
What is the InChIKey of N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is LTZWEUOCRYYXRT-UDWIEESQSA-N. The full InChI is InChI=1S/C18H26N4O6/c1-26-14-10-13(11-15(27-2)16(14)23)12-20-21-18(25)17(24)19-4-3-5-22-6-8-28-9-7-22/h10-12,23H,3-9H2,1-2H3,(H,19,24)(H,21,25)/b20-12+.
What are the key properties of N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 394.43 g/mol, XLogP of -0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 155566054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).