N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide

C12H15NO4 — CID 2430743

IUPACN-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCCNC(=O)COc1ccc(C=O)cc1OC
InChIInChI=1S/C12H15NO4/c1-3-13-12(15)8-17-10-5-4-9(7-14)6-11(10)16-2/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyDEKHHYUNIVIVFV-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.02
Rot. Bonds6

About N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide

N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide (PubChem CID 2430743) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
PubChem CID2430743
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCCNC(=O)COc1ccc(C=O)cc1OC
InChIInChI=1S/C12H15NO4/c1-3-13-12(15)8-17-10-5-4-9(7-14)6-11(10)16-2/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKeyDEKHHYUNIVIVFV-UHFFFAOYSA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
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-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide (CID 2430743) is N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide is CCNC(=O)COc1ccc(C=O)cc1OC.
What is the InChIKey of N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is DEKHHYUNIVIVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-13-12(15)8-17-10-5-4-9(7-14)6-11(10)16-2/h4-7H,3,8H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 237.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 2430743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).