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

C14H20N2O3 — CID 75519038

IUPAC2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
SMILESCCC(C(=O)Nc1cc2c(cc1C)OCO2)N(C)C
InChIInChI=1S/C14H20N2O3/c1-5-11(16(3)4)14(17)15-10-7-13-12(6-9(10)2)18-8-19-13/h6-7,11H,5,8H2,1-4H3,(H,15,17)
InChIKeyQSENCSXHSJHBRH-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.00
Rot. Bonds4

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

2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide (PubChem CID 75519038) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
PubChem CID75519038
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
SMILESCCC(C(=O)Nc1cc2c(cc1C)OCO2)N(C)C
InChIInChI=1S/C14H20N2O3/c1-5-11(16(3)4)14(17)15-10-7-13-12(6-9(10)2)18-8-19-13/h6-7,11H,5,8H2,1-4H3,(H,15,17)
InChIKeyQSENCSXHSJHBRH-UHFFFAOYSA-N
XLogP2.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115186861
2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115188767
2-ethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110778000
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-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butanoic acid
CID 115249755
3-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]amino]propanoic acid
CID 122089234
2-ethyl-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide
CID 110461480
2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide
CID 154766096
2,2-dimethyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115163959
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanoic acid
CID 115219286
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-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The IUPAC name of 2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide (CID 75519038) is 2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The canonical SMILES for 2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide is CCC(C(=O)Nc1cc2c(cc1C)OCO2)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
The InChIKey is QSENCSXHSJHBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-11(16(3)4)14(17)15-10-7-13-12(6-9(10)2)18-8-19-13/h6-7,11H,5,8H2,1-4H3,(H,15,17).
What are the key properties of 2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide?
2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide has a molecular weight of 264.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide is sourced from PubChem (CID 75519038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).