2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid

C20H17NO6 — CID 4899963

IUPAC2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
SMILESCc1cccc(OCc2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)o2)c1
InChIInChI=1S/C20H17NO6/c1-12-3-2-4-14(9-12)26-11-15-6-8-18(27-15)19(23)21-13-5-7-16(20(24)25)17(22)10-13/h2-10,22H,11H2,1H3,(H,21,23)(H,24,25)
InChIKeyGJRXIWMWJKGJAP-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.82
Rot. Bonds6

About 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid

2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid (PubChem CID 4899963) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
PubChem CID4899963
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
SMILESCc1cccc(OCc2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)o2)c1
InChIInChI=1S/C20H17NO6/c1-12-3-2-4-14(9-12)26-11-15-6-8-18(27-15)19(23)21-13-5-7-16(20(24)25)17(22)10-13/h2-10,22H,11H2,1H3,(H,21,23)(H,24,25)
InChIKeyGJRXIWMWJKGJAP-UHFFFAOYSA-N
XLogP3.82
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
N-(4-acetamidophenyl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463236
N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465565
2-hydroxy-4-[[4-(phenoxymethyl)benzoyl]amino]benzoic acid
CID 4896531
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19465579

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid (CID 4899963) is 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid is Cc1cccc(OCc2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)o2)c1.
What is the InChIKey of 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
The InChIKey is GJRXIWMWJKGJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-12-3-2-4-14(9-12)26-11-15-6-8-18(27-15)19(23)21-13-5-7-16(20(24)25)17(22)10-13/h2-10,22H,11H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid?
2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid has a molecular weight of 367.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 4899963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).