N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C17H19N3O5 — CID 18159228

IUPACN-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCCc1ccc(OCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H19N3O5/c1-2-12-5-7-13(8-6-12)25-11-16(22)20-19-15(21)10-18-17(23)14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyXZJXWYOJPMVYCR-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.80
Rot. Bonds7

About N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 18159228) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID18159228
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCCc1ccc(OCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H19N3O5/c1-2-12-5-7-13(8-6-12)25-11-16(22)20-19-15(21)10-18-17(23)14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyXZJXWYOJPMVYCR-UHFFFAOYSA-N
XLogP0.80
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7979811
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884691
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7032630
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 110781155

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 18159228) is N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is CCc1ccc(OCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XZJXWYOJPMVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-2-12-5-7-13(8-6-12)25-11-16(22)20-19-15(21)10-18-17(23)14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 18159228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).