4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid

C16H17NO5 — CID 976702

IUPAC4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCOc1ccc(C(=O)NCc2c(C)oc(C)c2C(=O)O)cc1
InChIInChI=1S/C16H17NO5/c1-9-13(14(16(19)20)10(2)22-9)8-17-15(18)11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGMIOXJDQPOODRN-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.53
Rot. Bonds5

About 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid

4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 976702) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid
PubChem CID976702
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCOc1ccc(C(=O)NCc2c(C)oc(C)c2C(=O)O)cc1
InChIInChI=1S/C16H17NO5/c1-9-13(14(16(19)20)10(2)22-9)8-17-15(18)11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGMIOXJDQPOODRN-UHFFFAOYSA-N
XLogP2.53
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid (CID 976702) is 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid is COc1ccc(C(=O)NCc2c(C)oc(C)c2C(=O)O)cc1.
What is the InChIKey of 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is GMIOXJDQPOODRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-9-13(14(16(19)20)10(2)22-9)8-17-15(18)11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid?
4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxybenzoyl)amino]methyl]-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 976702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).