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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Related Compounds

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CID 24961174
dipotassium;4-(4-carboxybenzoyl)benzoic acid;hydride
CID 175423080
4-(azepane-1-carbonyl)-N-tert-butylbenzamide
CID 48845413
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
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4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
N-tert-butyl-4-pyrrol-1-ylbenzamide
CID 51261804
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
4-[4-(tert-butylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 53407470

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).