2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

C15H20N2O4 — CID 113166222

IUPAC2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-10(18)17(15(2,3)4)8-14(19)16-11-5-6-12-13(7-11)21-9-20-12/h5-7H,8-9H2,1-4H3,(H,16,19)
InChIKeyZMDPLUNVHUABRQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.00
Rot. Bonds3

About 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113166222) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113166222
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-10(18)17(15(2,3)4)8-14(19)16-11-5-6-12-13(7-11)21-9-20-12/h5-7H,8-9H2,1-4H3,(H,16,19)
InChIKeyZMDPLUNVHUABRQ-UHFFFAOYSA-N
XLogP2.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
5-(1,3-benzodioxol-5-ylamino)-3,3-dimethyl-5-oxopentanoate
CID 3424556
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113163288

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 113166222) is 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is CC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C.
What is the InChIKey of 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is ZMDPLUNVHUABRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)17(15(2,3)4)8-14(19)16-11-5-6-12-13(7-11)21-9-20-12/h5-7H,8-9H2,1-4H3,(H,16,19).
What are the key properties of 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 292.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113166222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).