5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid

C20H17NO5 — CID 22684918

IUPAC5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(OCc3ccc(C(=O)O)o3)cc2)cc1
InChIInChI=1S/C20H17NO5/c1-13-2-6-15(7-3-13)21-19(22)14-4-8-16(9-5-14)25-12-17-10-11-18(26-17)20(23)24/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyMMAUCYOYEWVRRH-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.12
Rot. Bonds6

About 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid

5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 22684918) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
PubChem CID22684918
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
SMILESCc1ccc(NC(=O)c2ccc(OCc3ccc(C(=O)O)o3)cc2)cc1
InChIInChI=1S/C20H17NO5/c1-13-2-6-15(7-3-13)21-19(22)14-4-8-16(9-5-14)25-12-17-10-11-18(26-17)20(23)24/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyMMAUCYOYEWVRRH-UHFFFAOYSA-N
XLogP4.12
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 20993932
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 38008396
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
5-[[4-[[(E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]amino]phenoxy]methyl]furan-2-carboxylic acid
CID 168568312

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid (CID 22684918) is 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid is Cc1ccc(NC(=O)c2ccc(OCc3ccc(C(=O)O)o3)cc2)cc1.
What is the InChIKey of 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is MMAUCYOYEWVRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-13-2-6-15(7-3-13)21-19(22)14-4-8-16(9-5-14)25-12-17-10-11-18(26-17)20(23)24/h2-11H,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid?
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 351.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 22684918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).