N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

C15H19N3O4 — CID 8931811

IUPACN'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H19N3O4/c1-4-8-16-14(19)15(20)18-17-10-11-6-7-12(22-5-2)13(9-11)21-3/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,16,19)(H,18,20)/b17-10-
InChIKeyFIDKVOSWSQIGSE-YVLHZVERSA-N
MW305.33 g/mol
LogP0.85
Rot. Bonds7

About N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 8931811) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID8931811
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1ccc(OCC)c(OC)c1
InChIInChI=1S/C15H19N3O4/c1-4-8-16-14(19)15(20)18-17-10-11-6-7-12(22-5-2)13(9-11)21-3/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,16,19)(H,18,20)/b17-10-
InChIKeyFIDKVOSWSQIGSE-YVLHZVERSA-N
XLogP0.85
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8990276
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 3102421
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931683
1-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-3-prop-2-enylthiourea
CID 7453812
N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8902393
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8900453
N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126174502
N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 17201844
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126181925
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126166268
N'-[(E)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 17202138

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (CID 8931811) is N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C\c1ccc(OCC)c(OC)c1.
What is the InChIKey of N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is FIDKVOSWSQIGSE-YVLHZVERSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-8-16-14(19)15(20)18-17-10-11-6-7-12(22-5-2)13(9-11)21-3/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,16,19)(H,18,20)/b17-10-.
What are the key properties of N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 305.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 8931811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).