4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid

C20H23NO3 — CID 14186478

IUPAC4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid
SMILESCC(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1C(C)C
InChIInChI=1S/C20H23NO3/c1-12(2)17-10-7-15(11-18(17)13(3)4)19(22)21-16-8-5-14(6-9-16)20(23)24/h5-13H,1-4H3,(H,21,22)(H,23,24)
InChIKeyGYCRJGNKEMHGQV-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.88
Rot. Bonds5

About 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid

4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid (PubChem CID 14186478) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid
PubChem CID14186478
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid
SMILESCC(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1C(C)C
InChIInChI=1S/C20H23NO3/c1-12(2)17-10-7-15(11-18(17)13(3)4)19(22)21-16-8-5-14(6-9-16)20(23)24/h5-13H,1-4H3,(H,21,22)(H,23,24)
InChIKeyGYCRJGNKEMHGQV-UHFFFAOYSA-N
XLogP4.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tamibarotene
CID 108143
p-Acetamidobenzoic acid
CID 19266
Ftaxilide
CID 71895
Ro 40-6055
CID 2126
Phthalanilic acid
CID 78458
4-(Hexadecylamino)benzoic acid
CID 47263
Amsilarotene
CID 9800306
Bms 961
CID 445455
3'-Methylphthalanilic acid
CID 6821
Ethyl 4-(benzoylamino)benzoate
CID 12914
Bms753
CID 9884820
Bibr 1532
CID 9927531

Frequently Asked Questions

What is the IUPAC name of 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid (CID 14186478) is 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid is CC(C)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1C(C)C.
What is the InChIKey of 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid?
The InChIKey is GYCRJGNKEMHGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-12(2)17-10-7-15(11-18(17)13(3)4)19(22)21-16-8-5-14(6-9-16)20(23)24/h5-13H,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid?
4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,4-di(propan-2-yl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 14186478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).