6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide

C15H20N2O4 — CID 103543140

IUPAC6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cc2c(cc1N)OCO2
InChIInChI=1S/C15H20N2O4/c1-17(8-10-2-4-19-5-3-10)15(18)11-6-13-14(7-12(11)16)21-9-20-13/h6-7,10H,2-5,8-9,16H2,1H3
InChIKeyHNCOJDMAPVLXBU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.50
Rot. Bonds3

About 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide

6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 103543140) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID103543140
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cc2c(cc1N)OCO2
InChIInChI=1S/C15H20N2O4/c1-17(8-10-2-4-19-5-3-10)15(18)11-6-13-14(7-12(11)16)21-9-20-13/h6-7,10H,2-5,8-9,16H2,1H3
InChIKeyHNCOJDMAPVLXBU-UHFFFAOYSA-N
XLogP1.50
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
6-amino-N-(oxolan-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103542906
oxolan-3-ylmethyl 6-amino-1,3-benzodioxole-5-carboxylate
CID 103543566
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
6-amino-N-(2,2-difluoroethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 103543443
4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 119814555
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 113344764

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide (CID 103543140) is 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide is CN(CC1CCOCC1)C(=O)c1cc2c(cc1N)OCO2.
What is the InChIKey of 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is HNCOJDMAPVLXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(8-10-2-4-19-5-3-10)15(18)11-6-13-14(7-12(11)16)21-9-20-13/h6-7,10H,2-5,8-9,16H2,1H3.
What are the key properties of 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide?
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 103543140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).