2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide

C14H19ClN2O4 — CID 7706844

IUPAC2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
SMILESCCCOc1c(Cl)cc(/C=N\OCC(N)=O)cc1OCC
InChIInChI=1S/C14H19ClN2O4/c1-3-5-20-14-11(15)6-10(7-12(14)19-4-2)8-17-21-9-13(16)18/h6-8H,3-5,9H2,1-2H3,(H2,16,18)/b17-8-
InChIKeyCTZBPDBOHPNLAH-IUXPMGMMSA-N
MW314.77 g/mol
LogP2.36
Rot. Bonds9

About 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide

2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7706844) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound Name2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
PubChem CID7706844
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
SMILESCCCOc1c(Cl)cc(/C=N\OCC(N)=O)cc1OCC
InChIInChI=1S/C14H19ClN2O4/c1-3-5-20-14-11(15)6-10(7-12(14)19-4-2)8-17-21-9-13(16)18/h6-8H,3-5,9H2,1-2H3,(H2,16,18)/b17-8-
InChIKeyCTZBPDBOHPNLAH-IUXPMGMMSA-N
XLogP2.36
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228
2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide
CID 19587913
(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 9017543
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700024
(Z)-1-(3-chloro-5-ethoxy-4-propoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 110508637
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515314
(NZ)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518758
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126258500
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110506129
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
CID 126232825
1,3-thiazol-5-ylmethyl (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)prop-2-enoate
CID 166212943

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide (CID 7706844) is 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide is CCCOc1c(Cl)cc(/C=N\OCC(N)=O)cc1OCC.
What is the InChIKey of 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is CTZBPDBOHPNLAH-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-3-5-20-14-11(15)6-10(7-12(14)19-4-2)8-17-21-9-13(16)18/h6-8H,3-5,9H2,1-2H3,(H2,16,18)/b17-8-.
What are the key properties of 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide?
2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 314.77 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7706844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).