2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide

C13H18N2O4 — CID 7700024

IUPAC2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
SMILESCCCOc1ccc(/C=N\OCC(N)=O)cc1OC
InChIInChI=1S/C13H18N2O4/c1-3-6-18-11-5-4-10(7-12(11)17-2)8-15-19-9-13(14)16/h4-5,7-8H,3,6,9H2,1-2H3,(H2,14,16)/b15-8-
InChIKeyCVUQULMNMITNCO-NVNXTCNLSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds8

About 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide

2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7700024) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound Name2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
PubChem CID7700024
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
SMILESCCCOc1ccc(/C=N\OCC(N)=O)cc1OC
InChIInChI=1S/C13H18N2O4/c1-3-6-18-11-5-4-10(7-12(11)17-2)8-15-19-9-13(14)16/h4-5,7-8H,3,6,9H2,1-2H3,(H2,14,16)/b15-8-
InChIKeyCVUQULMNMITNCO-NVNXTCNLSA-N
XLogP1.32
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
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-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 24542213
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
N-(2-fluorophenyl)-2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700109
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7700136
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322296
2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7706844
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 4652824
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126343051
(E)-4-(4-methoxy-3-propoxyphenyl)-2-oxobut-3-enoic acid
CID 82161364
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide (CID 7700024) is 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide is CCCOc1ccc(/C=N\OCC(N)=O)cc1OC.
What is the InChIKey of 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is CVUQULMNMITNCO-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-6-18-11-5-4-10(7-12(11)17-2)8-15-19-9-13(14)16/h4-5,7-8H,3,6,9H2,1-2H3,(H2,14,16)/b15-8-.
What are the key properties of 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide?
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 266.30 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7700024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).