2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide

C15H21NO4 — CID 5141739

IUPAC2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(OC)cc1C=O
InChIInChI=1S/C15H21NO4/c1-4-12(5-2)16-15(18)10-20-14-7-6-13(19-3)8-11(14)9-17/h6-9,12H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyGMJGMTFHEJVEMK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.19
Rot. Bonds8

About 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide

2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide (PubChem CID 5141739) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide
PubChem CID5141739
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(OC)cc1C=O
InChIInChI=1S/C15H21NO4/c1-4-12(5-2)16-15(18)10-20-14-7-6-13(19-3)8-11(14)9-17/h6-9,12H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyGMJGMTFHEJVEMK-UHFFFAOYSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.19
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 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide (CID 5141739) is 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(OC)cc1C=O.
What is the InChIKey of 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide?
The InChIKey is GMJGMTFHEJVEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-12(5-2)16-15(18)10-20-14-7-6-13(19-3)8-11(14)9-17/h6-9,12H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide?
2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide has a molecular weight of 279.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide is sourced from PubChem (CID 5141739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).