N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

C17H24N4O5 — CID 155521998

IUPACN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1O
InChIInChI=1S/C17H24N4O5/c1-25-15-11-13(3-4-14(15)22)12-19-20-17(24)16(23)18-5-2-6-21-7-9-26-10-8-21/h3-4,11-12,22H,2,5-10H2,1H3,(H,18,23)(H,20,24)/b19-12+
InChIKeyHMJKNARCMSZNNK-XDHOZWIPSA-N
MW364.40 g/mol
LogP-0.31
Rot. Bonds7

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

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 155521998) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID155521998
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1O
InChIInChI=1S/C17H24N4O5/c1-25-15-11-13(3-4-14(15)22)12-19-20-17(24)16(23)18-5-2-6-21-7-9-26-10-8-21/h3-4,11-12,22H,2,5-10H2,1H3,(H,18,23)(H,20,24)/b19-12+
InChIKeyHMJKNARCMSZNNK-XDHOZWIPSA-N
XLogP-0.31
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135549613
N'-(3,4-diethoxybenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6871734
N-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
2-(1-azepanyl)-N'-(4-hydroxy-3-methoxybenzylidene)-2-oxoacetohydrazide
CID 135457602
2-(azepan-1-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-oxoacetohydrazide
CID 135457608
Piperidin-1-yl-acetic acid (3-ethoxy-4-hydroxy-benzylidene)-hydrazide
CID 135537550
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-m-tolyloxy-acetamide
CID 135648074
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [1-(3-hydroxy-phenyl)-meth-(Z)-ylidene-hydrazinocarbonylmethyl]-amide
CID 5897094
N-[(1Z)-2-(4-hydroxy-3-methoxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1, 3-diamide
CID 135411907
N-[(1Z)-2-(3-ethoxy-4-hydroxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1,3-diamide
CID 135411908
N'-(4-hydroxy-3-methoxybenzylidene)-3-(1-piperidinyl)propanohydrazide
CID 135433303

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 155521998) is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is COc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1O.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is HMJKNARCMSZNNK-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-25-15-11-13(3-4-14(15)22)12-19-20-17(24)16(23)18-5-2-6-21-7-9-26-10-8-21/h3-4,11-12,22H,2,5-10H2,1H3,(H,18,23)(H,20,24)/b19-12+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 364.40 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 155521998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).