4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid

C19H19NO4 — CID 10892724

IUPAC4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-19(2,3)20-17(22)14-8-4-12(5-9-14)16(21)13-6-10-15(11-7-13)18(23)24/h4-11H,1-3H3,(H,20,22)(H,23,24)
InChIKeyYYEAJEMHFHQTEL-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.14
Rot. Bonds4

About 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid

4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid (PubChem CID 10892724) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
PubChem CID10892724
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-19(2,3)20-17(22)14-8-4-12(5-9-14)16(21)13-6-10-15(11-7-13)18(23)24/h4-11H,1-3H3,(H,20,22)(H,23,24)
InChIKeyYYEAJEMHFHQTEL-UHFFFAOYSA-N
XLogP3.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid?
The IUPAC name of 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid (CID 10892724) is 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid.
What is the SMILES notation for 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid?
The canonical SMILES for 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid is CC(C)(C)NC(=O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid?
The InChIKey is YYEAJEMHFHQTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(2,3)20-17(22)14-8-4-12(5-9-14)16(21)13-6-10-15(11-7-13)18(23)24/h4-11H,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid?
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid is sourced from PubChem (CID 10892724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).