2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide

C16H22N2O4 — CID 113178447

IUPAC2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O4/c1-11(19)18(10-15(20)17-16(2,3)4)12-5-6-13-14(9-12)22-8-7-21-13/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyXSPKFWKIAHSUAQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.73
Rot. Bonds3

About 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide (PubChem CID 113178447) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
PubChem CID113178447
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O4/c1-11(19)18(10-15(20)17-16(2,3)4)12-5-6-13-14(9-12)22-8-7-21-13/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyXSPKFWKIAHSUAQ-UHFFFAOYSA-N
XLogP1.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113178466
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113178398
2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3206879
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113178476
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178426
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide
CID 113178455
2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
CID 113172965
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113178487
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
CID 113063025

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide (CID 113178447) is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide is CC(=O)N(CC(=O)NC(C)(C)C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide?
The InChIKey is XSPKFWKIAHSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(19)18(10-15(20)17-16(2,3)4)12-5-6-13-14(9-12)22-8-7-21-13/h5-6,9H,7-8,10H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide?
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide has a molecular weight of 306.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 113178447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).