N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide

C14H15NO4 — CID 896811

IUPACN-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccoc2C)c(OC)c1
InChIInChI=1S/C14H15NO4/c1-9-11(6-7-19-9)14(16)15-12-5-4-10(17-2)8-13(12)18-3/h4-8H,1-3H3,(H,15,16)
InChIKeyTVHCSLVRTFBAAA-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.86
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide

N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide (PubChem CID 896811) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide
PubChem CID896811
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccoc2C)c(OC)c1
InChIInChI=1S/C14H15NO4/c1-9-11(6-7-19-9)14(16)15-12-5-4-10(17-2)8-13(12)18-3/h4-8H,1-3H3,(H,15,16)
InChIKeyTVHCSLVRTFBAAA-UHFFFAOYSA-N
XLogP2.86
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide (CID 896811) is N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide is COc1ccc(NC(=O)c2ccoc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is TVHCSLVRTFBAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-11(6-7-19-9)14(16)15-12-5-4-10(17-2)8-13(12)18-3/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 896811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).