4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide

C13H17NO4 — CID 115162942

IUPAC4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
SMILESCc1cc2c(cc1N(C)C(=O)CCCO)OCO2
InChIInChI=1S/C13H17NO4/c1-9-6-11-12(18-8-17-11)7-10(9)14(2)13(16)4-3-5-15/h6-7,15H,3-5,8H2,1-2H3
InChIKeyNMQMFZNCCAVYLZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.46
Rot. Bonds4

About 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide

4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide (PubChem CID 115162942) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
PubChem CID115162942
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
SMILESCc1cc2c(cc1N(C)C(=O)CCCO)OCO2
InChIInChI=1S/C13H17NO4/c1-9-6-11-12(18-8-17-11)7-10(9)14(2)13(16)4-3-5-15/h6-7,15H,3-5,8H2,1-2H3
InChIKeyNMQMFZNCCAVYLZ-UHFFFAOYSA-N
XLogP1.46
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 115138893
1-(hydroxymethyl)-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 115182186
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
3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide
CID 115180466
N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162954
methyl 2-[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]acetate
CID 115232838
N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
CID 115159469
3-[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]butanoic acid
CID 117042160
N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 115159245
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
CID 115163051

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide (CID 115162942) is 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide is Cc1cc2c(cc1N(C)C(=O)CCCO)OCO2.
What is the InChIKey of 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The InChIKey is NMQMFZNCCAVYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-6-11-12(18-8-17-11)7-10(9)14(2)13(16)4-3-5-15/h6-7,15H,3-5,8H2,1-2H3.
What are the key properties of 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide has a molecular weight of 251.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide is sourced from PubChem (CID 115162942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).