N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C17H19NO5 — CID 659169

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1OC
InChIInChI=1S/C17H19NO5/c1-10-7-15(19)23-11(2)16(10)17(20)18-9-12-5-6-13(21-3)14(8-12)22-4/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyVWXXHRSHDCTAIA-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.20
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 659169) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID659169
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1OC
InChIInChI=1S/C17H19NO5/c1-10-7-15(19)23-11(2)16(10)17(20)18-9-12-5-6-13(21-3)14(8-12)22-4/h5-8H,9H2,1-4H3,(H,18,20)
InChIKeyVWXXHRSHDCTAIA-UHFFFAOYSA-N
XLogP2.20
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.20
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]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 659169) is N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is COc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is VWXXHRSHDCTAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10-7-15(19)23-11(2)16(10)17(20)18-9-12-5-6-13(21-3)14(8-12)22-4/h5-8H,9H2,1-4H3,(H,18,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 2.20, 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]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 659169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).