5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C19H21NO6 — CID 119226737

IUPAC5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCOc1ccc2c(c1)CC(C(=O)NCc1cc(C(=O)O)c(C)o1)CO2
InChIInChI=1S/C19H21NO6/c1-3-24-14-4-5-17-12(7-14)6-13(10-25-17)18(21)20-9-15-8-16(19(22)23)11(2)26-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyCXXUYPSEKZAUEW-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.55
Rot. Bonds6

About 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226737) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226737
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCOc1ccc2c(c1)CC(C(=O)NCc1cc(C(=O)O)c(C)o1)CO2
InChIInChI=1S/C19H21NO6/c1-3-24-14-4-5-17-12(7-14)6-13(10-25-17)18(21)20-9-15-8-16(19(22)23)11(2)26-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyCXXUYPSEKZAUEW-UHFFFAOYSA-N
XLogP2.55
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Morpholin-4-ylmethyl-2-phenyl-furan-3-carboxylic acid
CID 672004
N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide
CID 2946197
N-(2-furylmethyl)-2-[(4-oxo-2-phenyl-4H-chromen-6-yl)oxy]acetamide
CID 1179211
2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-6-yl)oxy]-N-(2-furylmethyl)acetamide
CID 3244598
S07-2005 (racemic)
CID 119222427
5-({[(2-Methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]amino}methyl)-3-furoic acid
CID 674054
N-(furan-2-ylmethyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 891600
N-(3-ethoxypropyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
CID 20916478
5-[[(6-ethoxy-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 177692824
5-Isobutyl-4-{[(4-methoxybenzoyl)amino]methyl}-2-methyl-3-furoic acid
CID 974239
2-[[[(4-Methoxyphenyl)-oxomethyl]amino]methyl]-5-phenyl-3-furancarboxylic acid
CID 1254675
(2R)-2-amino-3-[[5-(2-phenylmethoxyphenyl)furan-2-carbonyl]amino]propanoic acid
CID 166629245

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226737) is 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is CCOc1ccc2c(c1)CC(C(=O)NCc1cc(C(=O)O)c(C)o1)CO2.
What is the InChIKey of 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is CXXUYPSEKZAUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-3-24-14-4-5-17-12(7-14)6-13(10-25-17)18(21)20-9-15-8-16(19(22)23)11(2)26-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).