5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid

C19H19NO5 — CID 17361859

IUPAC5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1
InChIInChI=1S/C19H19NO5/c1-19(2,3)14-6-4-11(5-7-14)16(21)20-15-9-12(17(22)23)8-13(10-15)18(24)25/h4-10H,1-3H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeyZCQZOFNUZJAEJG-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.63
Rot. Bonds4

About 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid

5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 17361859) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID17361859
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1
InChIInChI=1S/C19H19NO5/c1-19(2,3)14-6-4-11(5-7-14)16(21)20-15-9-12(17(22)23)8-13(10-15)18(24)25/h4-10H,1-3H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeyZCQZOFNUZJAEJG-UHFFFAOYSA-N
XLogP3.63
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
5-[(4-ethynylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 59499607
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
CID 1369230
CID 67550053
CID 67550053
4-tert-butylbenzoic acid;copper
CID 67780260
copper 4-tert-butylbenzoic acid
CID 54604773

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid (CID 17361859) is 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid is CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is ZCQZOFNUZJAEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-19(2,3)14-6-4-11(5-7-14)16(21)20-15-9-12(17(22)23)8-13(10-15)18(24)25/h4-10H,1-3H3,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 17361859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).