2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide

C14H20N2O3 — CID 76895703

IUPAC2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12(15)13(17)16-7-9-5-4-6-10-11(9)19-8-18-10/h4-6,12H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyKYTRGNRWTBXZMC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.40
Rot. Bonds3

About 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide

2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide (PubChem CID 76895703) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide
PubChem CID76895703
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12(15)13(17)16-7-9-5-4-6-10-11(9)19-8-18-10/h4-6,12H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyKYTRGNRWTBXZMC-UHFFFAOYSA-N
XLogP1.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
(2R)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)pentanamide
CID 103795712
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylpentanamide
CID 61211349
2-amino-N-(1,3-benzodioxol-4-ylmethyl)hexanamide
CID 61212479
N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylsulfanylbutanamide
CID 61211160
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide (CID 76895703) is 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCc1cccc2c1OCO2.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide?
The InChIKey is KYTRGNRWTBXZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)12(15)13(17)16-7-9-5-4-6-10-11(9)19-8-18-10/h4-6,12H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide?
2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide has a molecular weight of 264.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76895703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).