N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

C16H15NO4 — CID 876826

IUPACN-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO4/c1-19-13-5-3-2-4-12(13)9-17-16(18)11-6-7-14-15(8-11)21-10-20-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyNLPNKJLUZRGCEB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.35
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 876826) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID876826
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO4/c1-19-13-5-3-2-4-12(13)9-17-16(18)11-6-7-14-15(8-11)21-10-20-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyNLPNKJLUZRGCEB-UHFFFAOYSA-N
XLogP2.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 876826) is N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide is COc1ccccc1CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NLPNKJLUZRGCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-13-5-3-2-4-12(13)9-17-16(18)11-6-7-14-15(8-11)21-10-20-14/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 876826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).