4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide

C13H17NO4 — CID 63890145

IUPAC4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(OC)cc1C=O
InChIInChI=1S/C13H17NO4/c1-14-13(16)4-3-7-18-12-6-5-11(17-2)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyPVAZAZROTRGYAM-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.41
Rot. Bonds7

About 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide

4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide (PubChem CID 63890145) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
PubChem CID63890145
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(OC)cc1C=O
InChIInChI=1S/C13H17NO4/c1-14-13(16)4-3-7-18-12-6-5-11(17-2)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyPVAZAZROTRGYAM-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide (CID 63890145) is 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccc(OC)cc1C=O.
What is the InChIKey of 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide?
The InChIKey is PVAZAZROTRGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-13(16)4-3-7-18-12-6-5-11(17-2)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide?
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide has a molecular weight of 251.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide is sourced from PubChem (CID 63890145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).