4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid

C16H20N2O4 — CID 21188202

IUPAC4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)O)o1.NC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12O3.C7H8N2O/c1-9(2,3)7-5-4-6(12-7)8(10)11;8-6-3-1-5(2-4-6)7(9)10/h4-5H,1-3H3,(H,10,11);1-4H,8H2,(H2,9,10)
InChIKeyBGBWDJARAZHDIN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.64
Rot. Bonds2

About 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid

4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid (PubChem CID 21188202) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid
PubChem CID21188202
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)O)o1.NC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12O3.C7H8N2O/c1-9(2,3)7-5-4-6(12-7)8(10)11;8-6-3-1-5(2-4-6)7(9)10/h4-5H,1-3H3,(H,10,11);1-4H,8H2,(H2,9,10)
InChIKeyBGBWDJARAZHDIN-UHFFFAOYSA-N
XLogP2.64
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid
CID 70189415
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide
CID 22612940
4-aminobenzamide;methanol
CID 144801245
4-aminobenzamide;1-benzofuran-2-carboxylic acid
CID 70131943
1-(5-tert-butylfuran-2-yl)-2,2-dimethylpropan-1-one
CID 12610611
4-aminobenzoic acid;hydrofluoride
CID 159690577
5-tert-butyl-N-methylfuran-2-carboxamide
CID 59304326
bis(4-aminobenzoic acid);ethene
CID 158776608
5-(1-cyclopropyl-1-hydroxyethyl)furan-2-carboxylic acid
CID 106945811
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
4-(4-aminophenyl)sulfanylbenzamide
CID 68503795

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid?
The IUPAC name of 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid (CID 21188202) is 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid.
What is the SMILES notation for 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid?
The canonical SMILES for 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid is CC(C)(C)c1ccc(C(=O)O)o1.NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid?
The InChIKey is BGBWDJARAZHDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.C7H8N2O/c1-9(2,3)7-5-4-6(12-7)8(10)11;8-6-3-1-5(2-4-6)7(9)10/h4-5H,1-3H3,(H,10,11);1-4H,8H2,(H2,9,10).
What are the key properties of 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid?
4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid is sourced from PubChem (CID 21188202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).