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

C18H26N4O5 — CID 17202145

IUPACN'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H26N4O5/c1-25-15-5-4-14(12-16(15)26-2)13-20-21-18(24)17(23)19-6-3-7-22-8-10-27-11-9-22/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,23)(H,21,24)/b20-13+
InChIKeyJPFXIWMEAXKMHI-DEDYPNTBSA-N
MW378.43 g/mol
LogP-0.01
Rot. Bonds8

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

N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 17202145) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID17202145
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC NameN'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H26N4O5/c1-25-15-5-4-14(12-16(15)26-2)13-20-21-18(24)17(23)19-6-3-7-22-8-10-27-11-9-22/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,23)(H,21,24)/b20-13+
InChIKeyJPFXIWMEAXKMHI-DEDYPNTBSA-N
XLogP-0.01
TPSA101.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 17202145) is N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is COc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1OC.
What is the InChIKey of N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is JPFXIWMEAXKMHI-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-25-15-5-4-14(12-16(15)26-2)13-20-21-18(24)17(23)19-6-3-7-22-8-10-27-11-9-22/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,23)(H,21,24)/b20-13+.
What are the key properties of N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 378.43 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 17202145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).