2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide

C11H13NO4 — CID 43471368

IUPAC2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1c(C=O)cccc1OC
InChIInChI=1S/C11H13NO4/c1-12-10(14)7-16-11-8(6-13)4-3-5-9(11)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyANERRBQJMYAMLE-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.63
Rot. Bonds5

About 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide

2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide (PubChem CID 43471368) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
PubChem CID43471368
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1c(C=O)cccc1OC
InChIInChI=1S/C11H13NO4/c1-12-10(14)7-16-11-8(6-13)4-3-5-9(11)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyANERRBQJMYAMLE-UHFFFAOYSA-N
XLogP0.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 17201773
2-(2-formyl-6-methoxyphenoxy)-N-(oxan-4-yl)acetamide
CID 63097655
N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 28913417
2-(2-iminopropoxy)-3-methoxybenzaldehyde
CID 134433830
propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
CID 28913518
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
methyl (E)-4-(2-formyl-6-methoxyphenoxy)but-2-enoate
CID 10955961
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
CID 82850307

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide?
The IUPAC name of 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide (CID 43471368) is 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide?
The canonical SMILES for 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide is CNC(=O)COc1c(C=O)cccc1OC.
What is the InChIKey of 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide?
The InChIKey is ANERRBQJMYAMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12-10(14)7-16-11-8(6-13)4-3-5-9(11)15-2/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide?
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide has a molecular weight of 223.23 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 43471368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).