N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

C14H17N3O3 — CID 8931109

IUPACN'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1ccccc1OCC
InChIInChI=1S/C14H17N3O3/c1-3-9-15-13(18)14(19)17-16-10-11-7-5-6-8-12(11)20-4-2/h3,5-8,10H,1,4,9H2,2H3,(H,15,18)(H,17,19)/b16-10-
InChIKeyXXFHIPKPQDZCLR-YBEGLDIGSA-N
MW275.31 g/mol
LogP0.84
Rot. Bonds6

About N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 8931109) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID8931109
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1ccccc1OCC
InChIInChI=1S/C14H17N3O3/c1-3-9-15-13(18)14(19)17-16-10-11-7-5-6-8-12(11)20-4-2/h3,5-8,10H,1,4,9H2,2H3,(H,15,18)(H,17,19)/b16-10-
InChIKeyXXFHIPKPQDZCLR-YBEGLDIGSA-N
XLogP0.84
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-prop-2-enylthiourea
CID 6085782
N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930114
N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2249697
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 3102421
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8931180
N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
CID 94846855
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931683
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8988871

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (CID 8931109) is N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C\c1ccccc1OCC.
What is the InChIKey of N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is XXFHIPKPQDZCLR-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-9-15-13(18)14(19)17-16-10-11-7-5-6-8-12(11)20-4-2/h3,5-8,10H,1,4,9H2,2H3,(H,15,18)(H,17,19)/b16-10-.
What are the key properties of N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 275.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 8931109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).