3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide

C12H17NO5 — CID 155519422

IUPAC3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCOc1ccc(C(O)CC(=O)N(C)O)cc1OC
InChIInChI=1S/C12H17NO5/c1-13(16)12(15)7-9(14)8-4-5-10(17-2)11(6-8)18-3/h4-6,9,14,16H,7H2,1-3H3
InChIKeyWHZBPNPYUBGFOM-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.97
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide

3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide (PubChem CID 155519422) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide
PubChem CID155519422
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide
SMILESCOc1ccc(C(O)CC(=O)N(C)O)cc1OC
InChIInChI=1S/C12H17NO5/c1-13(16)12(15)7-9(14)8-4-5-10(17-2)11(6-8)18-3/h4-6,9,14,16H,7H2,1-3H3
InChIKeyWHZBPNPYUBGFOM-UHFFFAOYSA-N
XLogP0.97
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide (CID 155519422) is 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide is COc1ccc(C(O)CC(=O)N(C)O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide?
The InChIKey is WHZBPNPYUBGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-13(16)12(15)7-9(14)8-4-5-10(17-2)11(6-8)18-3/h4-6,9,14,16H,7H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide?
3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide has a molecular weight of 255.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N,3-dihydroxy-N-methylpropanamide is sourced from PubChem (CID 155519422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).