N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide

C14H20N2O3 — CID 110838246

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide
SMILESCNC(C)(C)CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-14(2,15-3)7-13(17)16-8-10-4-5-11-12(6-10)19-9-18-11/h4-6,15H,7-9H2,1-3H3,(H,16,17)
InChIKeyFKVUFAJMYITVCE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.42
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide (PubChem CID 110838246) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide
PubChem CID110838246
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide
SMILESCNC(C)(C)CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-14(2,15-3)7-13(17)16-8-10-4-5-11-12(6-10)19-9-18-11/h4-6,15H,7-9H2,1-3H3,(H,16,17)
InChIKeyFKVUFAJMYITVCE-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxopentanoate
CID 7189349
N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)acetamide
CID 27149961
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylanilino)acetamide
CID 108998839
N-(1,3-benzodioxol-5-ylmethyl)-3,5,5-trimethylhexanamide
CID 42728024
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 795667
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110410345
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide (CID 110838246) is N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide is CNC(C)(C)CC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide?
The InChIKey is FKVUFAJMYITVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,15-3)7-13(17)16-8-10-4-5-11-12(6-10)19-9-18-11/h4-6,15H,7-9H2,1-3H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide has a molecular weight of 264.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide is sourced from PubChem (CID 110838246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).