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

C12H15NO4 — CID 43085549

IUPAC2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(C=O)cc1OC
InChIInChI=1S/C12H15NO4/c1-8(12(15)13-2)17-10-5-4-9(7-14)6-11(10)16-3/h4-8H,1-3H3,(H,13,15)
InChIKeyGSFMQZWMIZSDOD-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.02
Rot. Bonds5

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

2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide (PubChem CID 43085549) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
PubChem CID43085549
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(C=O)cc1OC
InChIInChI=1S/C12H15NO4/c1-8(12(15)13-2)17-10-5-4-9(7-14)6-11(10)16-3/h4-8H,1-3H3,(H,13,15)
InChIKeyGSFMQZWMIZSDOD-UHFFFAOYSA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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'}

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

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

Launch Full Analysis

Related Compounds

2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43084736
(2S)-N-(4-bromophenyl)-2-(4-formyl-2-methoxyphenoxy)propanamide
CID 7894186
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43112242
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 43086535
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
CID 135271655
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide?
The IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide (CID 43085549) is 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide.
What is the SMILES notation for 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide?
The canonical SMILES for 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide is CNC(=O)C(C)Oc1ccc(C=O)cc1OC.
What is the InChIKey of 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide?
The InChIKey is GSFMQZWMIZSDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(15)13-2)17-10-5-4-9(7-14)6-11(10)16-3/h4-8H,1-3H3,(H,13,15).
What are the key properties of 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide?
2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide has a molecular weight of 237.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide is sourced from PubChem (CID 43085549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).