2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid

C17H19NO6 — CID 119226219

IUPAC2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)COCCOc2ccccc2)cc1C(=O)O
InChIInChI=1S/C17H19NO6/c1-12-15(17(20)21)9-14(24-12)10-18-16(19)11-22-7-8-23-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyULPXZMZZIXHAJN-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.00
Rot. Bonds9

About 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119226219) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid
PubChem CID119226219
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)COCCOc2ccccc2)cc1C(=O)O
InChIInChI=1S/C17H19NO6/c1-12-15(17(20)21)9-14(24-12)10-18-16(19)11-22-7-8-23-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyULPXZMZZIXHAJN-UHFFFAOYSA-N
XLogP2.00
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536
2-methyl-5-[(3-phenoxypropylamino)methyl]furan-3-carboxylic acid
CID 103250015
2-methyl-5-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]furan-3-carboxylic acid
CID 103628815
5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 71915529
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61025078
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687185
5-[[3-(2,4-dimethylphenoxy)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226434

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid (CID 119226219) is 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)COCCOc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is ULPXZMZZIXHAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-12-15(17(20)21)9-14(24-12)10-18-16(19)11-22-7-8-23-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[[2-(2-phenoxyethoxy)acetyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119226219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).