4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid

C19H23NO5 — CID 974239

IUPAC4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
SMILESCOc1ccc(C(=O)NCc2c(CC(C)C)oc(C)c2C(=O)O)cc1
InChIInChI=1S/C19H23NO5/c1-11(2)9-16-15(17(19(22)23)12(3)25-16)10-20-18(21)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyGBRCPEAJORKSSP-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.42
Rot. Bonds7

About 4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid

4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid (PubChem CID 974239) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
PubChem CID974239
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
SMILESCOc1ccc(C(=O)NCc2c(CC(C)C)oc(C)c2C(=O)O)cc1
InChIInChI=1S/C19H23NO5/c1-11(2)9-16-15(17(19(22)23)12(3)25-16)10-20-18(21)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyGBRCPEAJORKSSP-UHFFFAOYSA-N
XLogP3.42
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.42
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-methyl-5-(2-methylpropyl)furan-3-carboxylic acid?
The IUPAC name of 4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid (CID 974239) is 4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid.
What is the SMILES notation for 4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid?
The canonical SMILES for 4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid is COc1ccc(C(=O)NCc2c(CC(C)C)oc(C)c2C(=O)O)cc1.
What is the InChIKey of 4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid?
The InChIKey is GBRCPEAJORKSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-11(2)9-16-15(17(19(22)23)12(3)25-16)10-20-18(21)13-5-7-14(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid?
4-[[(4-methoxybenzoyl)amino]methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 3.42, 7 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-methyl-5-(2-methylpropyl)furan-3-carboxylic acid is sourced from PubChem (CID 974239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).