4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid

C17H19NO4 — CID 120512985

IUPAC4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid
SMILESCCc1oc(C(=O)NCCc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C17H19NO4/c1-3-14-11(2)10-15(22-14)16(19)18-9-8-12-4-6-13(7-5-12)17(20)21/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGFZTZWUAGWSWLQ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.82
Rot. Bonds6

About 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid

4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid (PubChem CID 120512985) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid
PubChem CID120512985
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid
SMILESCCc1oc(C(=O)NCCc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C17H19NO4/c1-3-14-11(2)10-15(22-14)16(19)18-9-8-12-4-6-13(7-5-12)17(20)21/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyGFZTZWUAGWSWLQ-UHFFFAOYSA-N
XLogP2.82
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic 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

3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-4-methylbenzoic acid
CID 120522327
4-[2-[(3,5-dimethylfuran-2-carbonyl)amino]ethyl]benzoic acid
CID 119168767
N,5-diethyl-4-methylfuran-2-carboxamide
CID 130645001
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid
CID 120523094
4-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 79802947
2-[4-[2-[(4,5-diethylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120688153
4-[2-[(3-iodobenzoyl)amino]ethyl]benzoic acid
CID 43233757
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide
CID 119446544
4-[2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]ethyl]benzoic acid
CID 138042530
4-[2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 119168836

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid (CID 120512985) is 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid is CCc1oc(C(=O)NCCc2ccc(C(=O)O)cc2)cc1C.
What is the InChIKey of 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is GFZTZWUAGWSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-14-11(2)10-15(22-14)16(19)18-9-8-12-4-6-13(7-5-12)17(20)21/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid?
4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 120512985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).