N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide

C20H22N4O4 — CID 6175149

IUPACN'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)NCc2cccnc2)cc1OCC
InChIInChI=1S/C20H22N4O4/c1-3-10-28-17-8-7-15(11-18(17)27-4-2)14-23-24-20(26)19(25)22-13-16-6-5-9-21-12-16/h3,5-9,11-12,14H,1,4,10,13H2,2H3,(H,22,25)(H,24,26)/b23-14-
InChIKeyMTDQRWCSIRRZEC-UCQKPKSFSA-N
MW382.42 g/mol
LogP1.81
Rot. Bonds9

About N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide

N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 6175149) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID6175149
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)NCc2cccnc2)cc1OCC
InChIInChI=1S/C20H22N4O4/c1-3-10-28-17-8-7-15(11-18(17)27-4-2)14-23-24-20(26)19(25)22-13-16-6-5-9-21-12-16/h3,5-9,11-12,14H,1,4,10,13H2,2H3,(H,22,25)(H,24,26)/b23-14-
InChIKeyMTDQRWCSIRRZEC-UCQKPKSFSA-N
XLogP1.81
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
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-[(3-bromophenyl)methyl]-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4148335
N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 5340243
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932041
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3983717
N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 4269018
N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931692
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811
N-(3-bromophenyl)-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4605611
4-[[[2-oxo-2-(pyridin-3-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 3387447
N-benzyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126165638
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 3102421
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
CID 6048916

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide (CID 6175149) is N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is C=CCOc1ccc(/C=N\NC(=O)C(=O)NCc2cccnc2)cc1OCC.
What is the InChIKey of N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is MTDQRWCSIRRZEC-UCQKPKSFSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-10-28-17-8-7-15(11-18(17)27-4-2)14-23-24-20(26)19(25)22-13-16-6-5-9-21-12-16/h3,5-9,11-12,14H,1,4,10,13H2,2H3,(H,22,25)(H,24,26)/b23-14-.
What are the key properties of N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 382.42 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 6175149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).