N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide

C15H15NO5 — CID 665841

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(=O)oc2)cc1OC
InChIInChI=1S/C15H15NO5/c1-19-12-5-3-10(7-13(12)20-2)8-16-15(18)11-4-6-14(17)21-9-11/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyDTGWOVGBZINLQY-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.59
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide (PubChem CID 665841) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide
PubChem CID665841
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(=O)oc2)cc1OC
InChIInChI=1S/C15H15NO5/c1-19-12-5-3-10(7-13(12)20-2)8-16-15(18)11-4-6-14(17)21-9-11/h3-7,9H,8H2,1-2H3,(H,16,18)
InChIKeyDTGWOVGBZINLQY-UHFFFAOYSA-N
XLogP1.59
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide (CID 665841) is N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide is COc1ccc(CNC(=O)c2ccc(=O)oc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide?
The InChIKey is DTGWOVGBZINLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-12-5-3-10(7-13(12)20-2)8-16-15(18)11-4-6-14(17)21-9-11/h3-7,9H,8H2,1-2H3,(H,16,18).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 665841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).