5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid

C17H19NO4 — CID 91687982

IUPAC5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C17H19NO4/c1-10-5-6-11(13-7-8-14(22-13)15(19)20)9-12(10)18-16(21)17(2,3)4/h5-9H,1-4H3,(H,18,21)(H,19,20)
InChIKeyHNYUBDWEMYDDJA-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.94
Rot. Bonds3

About 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid

5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid (PubChem CID 91687982) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid
PubChem CID91687982
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C17H19NO4/c1-10-5-6-11(13-7-8-14(22-13)15(19)20)9-12(10)18-16(21)17(2,3)4/h5-9H,1-4H3,(H,18,21)(H,19,20)
InChIKeyHNYUBDWEMYDDJA-UHFFFAOYSA-N
XLogP3.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-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-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688511
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
5-[3-[(4-tert-butylbenzoyl)amino]-4-chlorophenyl]furan-2-carboxylic acid
CID 91688516
5-[4-chloro-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688518
5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687991
5-[2-(2,2-dimethylpropanoylcarbamothioylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687763
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
5-(3-carboxy-4-hydroxyphenyl)furan-2-carboxylic acid
CID 57339526
5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687999
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 23102429
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid (CID 91687982) is 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid?
The InChIKey is HNYUBDWEMYDDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-10-5-6-11(13-7-8-14(22-13)15(19)20)9-12(10)18-16(21)17(2,3)4/h5-9H,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid?
5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91687982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).