2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide

C14H20N2O3 — CID 115188767

IUPAC2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
SMILESCCC(CNC)C(=O)Nc1cc2c(cc1C)OCO2
InChIInChI=1S/C14H20N2O3/c1-4-10(7-15-3)14(17)16-11-6-13-12(5-9(11)2)18-8-19-13/h5-6,10,15H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyDTJCWYQKQBQNHP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.91
Rot. Bonds5

About 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide

2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide (PubChem CID 115188767) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
PubChem CID115188767
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
SMILESCCC(CNC)C(=O)Nc1cc2c(cc1C)OCO2
InChIInChI=1S/C14H20N2O3/c1-4-10(7-15-3)14(17)16-11-6-13-12(5-9(11)2)18-8-19-13/h5-6,10,15H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyDTJCWYQKQBQNHP-UHFFFAOYSA-N
XLogP1.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide 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-(aminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115186861
2-ethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110778000
2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 75519038
2-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butanoic acid
CID 115249755
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115164154
2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115187485
2-ethyl-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide
CID 110461480
2-(aminomethyl)-N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 65224990
2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
CID 115188725
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanoic acid
CID 115219286
N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116964754
1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 115168904

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The IUPAC name of 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide (CID 115188767) is 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide is CCC(CNC)C(=O)Nc1cc2c(cc1C)OCO2.
What is the InChIKey of 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The InChIKey is DTJCWYQKQBQNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-10(7-15-3)14(17)16-11-6-13-12(5-9(11)2)18-8-19-13/h5-6,10,15H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide has a molecular weight of 264.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide is sourced from PubChem (CID 115188767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).