4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid

C20H23NO3 — CID 15347492

IUPAC4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid
SMILESCC(C)N(C(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)21(14(3)4)19(22)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(23)24/h5-14H,1-4H3,(H,23,24)
InChIKeyFDCNBYNWZUDLOG-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.31
Rot. Bonds5

About 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid

4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid (PubChem CID 15347492) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid
PubChem CID15347492
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid
SMILESCC(C)N(C(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)21(14(3)4)19(22)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(23)24/h5-14H,1-4H3,(H,23,24)
InChIKeyFDCNBYNWZUDLOG-UHFFFAOYSA-N
XLogP4.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid (CID 15347492) is 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid is CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C.
What is the InChIKey of 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid?
The InChIKey is FDCNBYNWZUDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(2)21(14(3)4)19(22)17-9-5-15(6-10-17)16-7-11-18(12-8-16)20(23)24/h5-14H,1-4H3,(H,23,24).
What are the key properties of 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid?
4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[di(propan-2-yl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 15347492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).