N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide

C16H15NO4 — CID 647869

IUPACN-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO4/c1-10-3-5-13(19-2)12(7-10)17-16(18)11-4-6-14-15(8-11)21-9-20-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyRYKUEZNGMWDACB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.98
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide

N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 647869) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID647869
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO4/c1-10-3-5-13(19-2)12(7-10)17-16(18)11-4-6-14-15(8-11)21-9-20-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyRYKUEZNGMWDACB-UHFFFAOYSA-N
XLogP2.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide (CID 647869) is N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is RYKUEZNGMWDACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-3-5-13(19-2)12(7-10)17-16(18)11-4-6-14-15(8-11)21-9-20-14/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 647869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).