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

C19H28N4O6 — CID 46500386

IUPACN-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C19H28N4O6/c1-26-15-11-14(12-16(27-2)17(15)28-3)13-21-22-19(25)18(24)20-5-4-6-23-7-9-29-10-8-23/h11-13H,4-10H2,1-3H3,(H,20,24)(H,22,25)/b21-13+
InChIKeyUFDTWSGGXZAPOS-FYJGNVAPSA-N
MW408.46 g/mol
LogP0.00
Rot. Bonds9

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

N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide (PubChem CID 46500386) has the molecular formula C19H28N4O6 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
PubChem CID46500386
Molecular FormulaC19H28N4O6
Molecular Weight408.46 g/mol
Exact Mass408.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C19H28N4O6/c1-26-15-11-14(12-16(27-2)17(15)28-3)13-21-22-19(25)18(24)20-5-4-6-23-7-9-29-10-8-23/h11-13H,4-10H2,1-3H3,(H,20,24)(H,22,25)/b21-13+
InChIKeyUFDTWSGGXZAPOS-FYJGNVAPSA-N
XLogP0.00
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N'-(3,4-diethoxybenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6871734
3-(4-benzyl-1-piperazinyl)-N'-(3,4,5-trimethoxybenzylidene)propanohydrazide
CID 5435010
N'-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-3-(4-methyl-1-piperazinyl)propanohydrazide
CID 6898543
Piperidin-1-yl-acetic acid (4-allyloxy-3-methoxy-benzylidene)-hydrazide
CID 9592936
Piperidin-1-yl-acetic acid (3-ethoxy-4-propoxy-benzylidene)-hydrazide
CID 9592955
2-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-N-[3-(morpholin-4-yl)propyl]-2-oxoacetamide
CID 6889077
1-(2-morpholin-4-ylethyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906714
Morpholin-4-yl-acetic acid (4-benzyloxy-3-methoxy-benzylidene)-hydrazide
CID 9592931
1-{N'-[(E)-2H-1,3-benzodioxol-5-ylmethylidene]hydrazinecarbonyl}-N-[3-(morpholin-4-yl)propyl]formamide
CID 9593848
N'-[(E)-[3-Ethoxy-4-(prop-2-EN-1-yloxy)phenyl]methylidene]-2-(morpholin-4-YL)acetohydrazide
CID 9661214
N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 17202145
1-{N'-[(E)-{3-Methoxy-4-[2-(morpholin-4-YL)-2-oxoethoxy]phenyl}methylidene]hydrazinecarbonyl}-N-[(oxolan-2-YL)methyl]formamide
CID 17202218

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide (CID 46500386) is N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide is COc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is UFDTWSGGXZAPOS-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H28N4O6/c1-26-15-11-14(12-16(27-2)17(15)28-3)13-21-22-19(25)18(24)20-5-4-6-23-7-9-29-10-8-23/h11-13H,4-10H2,1-3H3,(H,20,24)(H,22,25)/b21-13+.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide?
N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 408.46 g/mol, XLogP of 0.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 46500386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).