5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C17H19NO5 — CID 119222002

IUPAC5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCOc1ccc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)cc1
InChIInChI=1S/C17H19NO5/c1-4-22-13-7-5-12(6-8-13)16(19)18(3)10-14-9-15(17(20)21)11(2)23-14/h5-9H,4,10H2,1-3H3,(H,20,21)
InChIKeyVMGZIMKDKDWWNJ-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.96
Rot. Bonds6

About 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222002) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222002
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCOc1ccc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)cc1
InChIInChI=1S/C17H19NO5/c1-4-22-13-7-5-12(6-8-13)16(19)18(3)10-14-9-15(17(20)21)11(2)23-14/h5-9H,4,10H2,1-3H3,(H,20,21)
InChIKeyVMGZIMKDKDWWNJ-UHFFFAOYSA-N
XLogP2.96
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-5-[[methyl-[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]methyl]furan-3-carboxylic acid
CID 120686998
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714
2-methyl-5-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222034
5-[[[4-(dimethylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222465
5-[[(4-fluoro-3-methoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522880
5-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222009
5-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523853
2-methyl-5-[[methyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 119222801
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
CID 34481720
5-[[(3-ethylsulfonylbenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523015
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222002) is 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is CCOc1ccc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)cc1.
What is the InChIKey of 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is VMGZIMKDKDWWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-4-22-13-7-5-12(6-8-13)16(19)18(3)10-14-9-15(17(20)21)11(2)23-14/h5-9H,4,10H2,1-3H3,(H,20,21).
What are the key properties of 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).