N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

C17H24N4O4 — CID 6889077

IUPACN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H24N4O4/c1-24-15-6-3-2-5-14(15)13-19-20-17(23)16(22)18-7-4-8-21-9-11-25-12-10-21/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,22)(H,20,23)/b19-13+
InChIKeySAGPWKIIUCBADC-CPNJWEJPSA-N
MW348.40 g/mol
LogP-0.02
Rot. Bonds7

About N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 6889077) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID6889077
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H24N4O4/c1-24-15-6-3-2-5-14(15)13-19-20-17(23)16(22)18-7-4-8-21-9-11-25-12-10-21/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,22)(H,20,23)/b19-13+
InChIKeySAGPWKIIUCBADC-CPNJWEJPSA-N
XLogP-0.02
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 6889077) is N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is COc1ccccc1/C=N/NC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is SAGPWKIIUCBADC-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-24-15-6-3-2-5-14(15)13-19-20-17(23)16(22)18-7-4-8-21-9-11-25-12-10-21/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,22)(H,20,23)/b19-13+.
What are the key properties of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 348.40 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 6889077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).