N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide

C14H19NO4 — CID 673707

IUPACN,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCCN(CC)C(=O)COc1ccc(C=O)cc1OC
InChIInChI=1S/C14H19NO4/c1-4-15(5-2)14(17)10-19-12-7-6-11(9-16)8-13(12)18-3/h6-9H,4-5,10H2,1-3H3
InChIKeyBGIJJLSDXQBYJQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds7

About N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide

N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide (PubChem CID 673707) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
PubChem CID673707
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCCN(CC)C(=O)COc1ccc(C=O)cc1OC
InChIInChI=1S/C14H19NO4/c1-4-15(5-2)14(17)10-19-12-7-6-11(9-16)8-13(12)18-3/h6-9H,4-5,10H2,1-3H3
InChIKeyBGIJJLSDXQBYJQ-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide (CID 673707) is N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide is CCN(CC)C(=O)COc1ccc(C=O)cc1OC.
What is the InChIKey of N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is BGIJJLSDXQBYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-15(5-2)14(17)10-19-12-7-6-11(9-16)8-13(12)18-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 673707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).