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

C16H22N4O4 — CID 135484332

IUPACN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H22N4O4/c21-14-5-2-1-4-13(14)12-18-19-16(23)15(22)17-6-3-7-20-8-10-24-11-9-20/h1-2,4-5,12,21H,3,6-11H2,(H,17,22)(H,19,23)/b18-12+
InChIKeyVXULPMXECROZSS-LDADJPATSA-N
MW334.38 g/mol
LogP-0.32
Rot. Bonds6

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

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 135484332) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID135484332
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H22N4O4/c21-14-5-2-1-4-13(14)12-18-19-16(23)15(22)17-6-3-7-20-8-10-24-11-9-20/h1-2,4-5,12,21H,3,6-11H2,(H,17,22)(H,19,23)/b18-12+
InChIKeyVXULPMXECROZSS-LDADJPATSA-N
XLogP-0.32
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 135484332) is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is VXULPMXECROZSS-LDADJPATSA-N. The full InChI is InChI=1S/C16H22N4O4/c21-14-5-2-1-4-13(14)12-18-19-16(23)15(22)17-6-3-7-20-8-10-24-11-9-20/h1-2,4-5,12,21H,3,6-11H2,(H,17,22)(H,19,23)/b18-12+.
What are the key properties of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 334.38 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 135484332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).