N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide

C23H24N4O5 — CID 6018951

IUPACN-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C23H24N4O5/c1-2-13-32-20-10-6-3-7-17(20)16-24-26-22(29)21(28)25-19-9-5-4-8-18(19)23(30)27-11-14-31-15-12-27/h2-10,16H,1,11-15H2,(H,25,28)(H,26,29)/b24-16-
InChIKeyUOPNLMBDSBGUKB-JLPGSUDCSA-N
MW436.47 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide

N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 6018951) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID6018951
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C23H24N4O5/c1-2-13-32-20-10-6-3-7-17(20)16-24-26-22(29)21(28)25-19-9-5-4-8-18(19)23(30)27-11-14-31-15-12-27/h2-10,16H,1,11-15H2,(H,25,28)(H,26,29)/b24-16-
InChIKeyUOPNLMBDSBGUKB-JLPGSUDCSA-N
XLogP1.81
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 4559649
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690328
N'-[(Z)-furan-2-ylmethylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 6027752
N-(2-ethylphenyl)-N'-[(Z)-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]oxamide
CID 126265215
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 3418845
N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690284
methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 6106405
N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8989282
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45054984
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 6018951) is N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is UOPNLMBDSBGUKB-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-13-32-20-10-6-3-7-17(20)16-24-26-22(29)21(28)25-19-9-5-4-8-18(19)23(30)27-11-14-31-15-12-27/h2-10,16H,1,11-15H2,(H,25,28)(H,26,29)/b24-16-.
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide?
N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 436.47 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6018951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).