4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid

C26H24N2O6 — CID 155124786

IUPAC4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O6/c1-26(2,3)34-25(33)19-6-4-16(5-7-19)22(29)27-20-12-8-17(9-13-20)23(30)28-21-14-10-18(11-15-21)24(31)32/h4-15H,1-3H3,(H,27,29)(H,28,30)(H,31,32)
InChIKeyBOZAXDKFWVPRSH-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.84
Rot. Bonds6

About 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid

4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid (PubChem CID 155124786) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
PubChem CID155124786
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
SMILESCC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O6/c1-26(2,3)34-25(33)19-6-4-16(5-7-19)22(29)27-20-12-8-17(9-13-20)23(30)28-21-14-10-18(11-15-21)24(31)32/h4-15H,1-3H3,(H,27,29)(H,28,30)(H,31,32)
InChIKeyBOZAXDKFWVPRSH-UHFFFAOYSA-N
XLogP4.84
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid with MolForge

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Related Compounds

tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]benzoate
CID 25179118
2-phenylpropan-2-yl 4-benzamidobenzoate
CID 58709253
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
tert-butyl 4-(hydroxyamino)benzoate
CID 45089836
tert-butyl 4-(hydroxycarbamoyl)benzoate
CID 164566523
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623
4-[[4-(hydroxycarbamoyl)phenyl]carbamoyl]benzoic acid
CID 86231405
4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
CID 102014802
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid (CID 155124786) is 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid is CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid?
The InChIKey is BOZAXDKFWVPRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-26(2,3)34-25(33)19-6-4-16(5-7-19)22(29)27-20-12-8-17(9-13-20)23(30)28-21-14-10-18(11-15-21)24(31)32/h4-15H,1-3H3,(H,27,29)(H,28,30)(H,31,32).
What are the key properties of 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid?
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid has a molecular weight of 460.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 155124786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).