3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide

C14H20N2O3 — CID 106275482

IUPAC3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-14(2,13(17)15-3)8-16-7-10-4-5-11-12(6-10)19-9-18-11/h4-6,16H,7-9H2,1-3H3,(H,15,17)
InChIKeyOTHWCEPTUFSNGZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.28
Rot. Bonds5

About 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide

3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide (PubChem CID 106275482) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide
PubChem CID106275482
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-14(2,13(17)15-3)8-16-7-10-4-5-11-12(6-10)19-9-18-11/h4-6,16H,7-9H2,1-3H3,(H,15,17)
InChIKeyOTHWCEPTUFSNGZ-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-N,2,2-trimethylpropanamide
CID 106275702
methyl 3-(1,3-benzodioxol-5-ylmethylamino)-2-hydroxy-2-methylpropanoate
CID 104644435
1-(1,3-benzodioxol-5-ylmethylamino)-2-methylbutan-2-ol
CID 65107806
3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824416
3-[(3-fluoro-4-methylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824288
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 795667
N-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]acetamide
CID 17462314
methyl 2-(1,3-benzodioxol-5-ylmethylamino)acetate;hydrochloride
CID 69314865
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide
CID 110838246
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805023
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60647375

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide (CID 106275482) is 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide?
The InChIKey is OTHWCEPTUFSNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,13(17)15-3)8-16-7-10-4-5-11-12(6-10)19-9-18-11/h4-6,16H,7-9H2,1-3H3,(H,15,17).
What are the key properties of 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide?
3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).