N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide

C22H27N3O4 — CID 8989116

IUPACN'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1OCC
InChIInChI=1S/C22H27N3O4/c1-3-14-29-19-11-10-18(15-20(19)28-4-2)16-24-25-22(27)21(26)23-13-12-17-8-6-5-7-9-17/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,23,26)(H,25,27)/b24-16-
InChIKeyUTHPESUBDYPFET-JLPGSUDCSA-N
MW397.48 g/mol
LogP2.68
Rot. Bonds10

About N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide

N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide (PubChem CID 8989116) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
PubChem CID8989116
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1OCC
InChIInChI=1S/C22H27N3O4/c1-3-14-29-19-11-10-18(15-20(19)28-4-2)16-24-25-22(27)21(26)23-13-12-17-8-6-5-7-9-17/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,23,26)(H,25,27)/b24-16-
InChIKeyUTHPESUBDYPFET-JLPGSUDCSA-N
XLogP2.68
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.68
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 4116439
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
CID 8989086
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8931387
2-cyano-3-(3-ethoxy-4-propoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 5224430
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168535689
4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 8898189
N'-[(E)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 17202214
2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8990059
N-ethyl-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989083
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
CID 94833642
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide (CID 8989116) is N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide is CCCOc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1OCC.
What is the InChIKey of N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
The InChIKey is UTHPESUBDYPFET-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-14-29-19-11-10-18(15-20(19)28-4-2)16-24-25-22(27)21(26)23-13-12-17-8-6-5-7-9-17/h5-11,15-16H,3-4,12-14H2,1-2H3,(H,23,26)(H,25,27)/b24-16-.
What are the key properties of N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide?
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide has a molecular weight of 397.48 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 8989116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).