4-(2,4-dimethoxyphenyl)-N-methoxybutanamide

C13H19NO4 — CID 11608534

IUPAC4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
SMILESCONC(=O)CCCc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO4/c1-16-11-8-7-10(12(9-11)17-2)5-4-6-13(15)14-18-3/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyMRXHLTIXDYBPGC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.70
Rot. Bonds7

About 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide

4-(2,4-dimethoxyphenyl)-N-methoxybutanamide (PubChem CID 11608534) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
PubChem CID11608534
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
SMILESCONC(=O)CCCc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO4/c1-16-11-8-7-10(12(9-11)17-2)5-4-6-13(15)14-18-3/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyMRXHLTIXDYBPGC-UHFFFAOYSA-N
XLogP1.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide 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

4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
CID 116851597
N-acetyl-3-(2,4-dimethoxyphenyl)propanamide
CID 171779335
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide (CID 11608534) is 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide is CONC(=O)CCCc1ccc(OC)cc1OC.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide?
The InChIKey is MRXHLTIXDYBPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-11-8-7-10(12(9-11)17-2)5-4-6-13(15)14-18-3/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide?
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide has a molecular weight of 253.30 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-methoxybutanamide is sourced from PubChem (CID 11608534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).