4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide

C15H20N2O4 — CID 115293826

IUPAC4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)C3(N)CCOCC3)cc2O1
InChIInChI=1S/C15H20N2O4/c1-14(2)20-11-4-3-10(9-12(11)21-14)17-13(18)15(16)5-7-19-8-6-15/h3-4,9H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyGKZQICMIKGWYPF-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.64
Rot. Bonds2

About 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide

4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide (PubChem CID 115293826) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide
PubChem CID115293826
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide
SMILESCC1(C)Oc2ccc(NC(=O)C3(N)CCOCC3)cc2O1
InChIInChI=1S/C15H20N2O4/c1-14(2)20-11-4-3-10(9-12(11)21-14)17-13(18)15(16)5-7-19-8-6-15/h3-4,9H,5-8,16H2,1-2H3,(H,17,18)
InChIKeyGKZQICMIKGWYPF-UHFFFAOYSA-N
XLogP1.64
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
CID 115293893
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 43700348
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115294569
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide
CID 115294049
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide (CID 115293826) is 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide is CC1(C)Oc2ccc(NC(=O)C3(N)CCOCC3)cc2O1.
What is the InChIKey of 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide?
The InChIKey is GKZQICMIKGWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-14(2)20-11-4-3-10(9-12(11)21-14)17-13(18)15(16)5-7-19-8-6-15/h3-4,9H,5-8,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide?
4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 115293826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).