3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C13H17NO4 — CID 115138893

IUPAC3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCc1cc2c(cc1N(C)C(=O)CCO)OCCO2
InChIInChI=1S/C13H17NO4/c1-9-7-11-12(18-6-5-17-11)8-10(9)14(2)13(16)3-4-15/h7-8,15H,3-6H2,1-2H3
InChIKeyBWNQNQAHVDXGDC-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.11
Rot. Bonds3

About 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 115138893) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID115138893
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCc1cc2c(cc1N(C)C(=O)CCO)OCCO2
InChIInChI=1S/C13H17NO4/c1-9-7-11-12(18-6-5-17-11)8-10(9)14(2)13(16)3-4-15/h7-8,15H,3-6H2,1-2H3
InChIKeyBWNQNQAHVDXGDC-UHFFFAOYSA-N
XLogP1.11
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide 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-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115162942
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
2-(ethylamino)-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 115157805
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115133980
2-methyl-3-[methyl-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propanoic acid
CID 115219345
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
1-(hydroxymethyl)-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 115182186
1-N-methyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115196418
3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide
CID 115180466
3-[methyl-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propan-1-ol
CID 115216940
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 110752841

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 115138893) is 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is Cc1cc2c(cc1N(C)C(=O)CCO)OCCO2.
What is the InChIKey of 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is BWNQNQAHVDXGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-7-11-12(18-6-5-17-11)8-10(9)14(2)13(16)3-4-15/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 251.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 115138893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).