2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid

C24H23NO4 — CID 87410466

IUPAC2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid
SMILESCC(C)CON(C(=O)c1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-17(2)16-29-25(23(26)21-10-6-7-11-22(21)24(27)28)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,27,28)
InChIKeyALFBENJSXQMUTN-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.29
Rot. Bonds7

About 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid

2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid (PubChem CID 87410466) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid
PubChem CID87410466
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid
SMILESCC(C)CON(C(=O)c1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-17(2)16-29-25(23(26)21-10-6-7-11-22(21)24(27)28)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,27,28)
InChIKeyALFBENJSXQMUTN-UHFFFAOYSA-N
XLogP5.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropoxy)-4-phenylbenzoic acid
CID 162369990
2-[methyl(3-methylbutyl)carbamoyl]benzoic acid
CID 60948718
2-[(1-hydroxy-3-methylbutan-2-yl)-methylcarbamoyl]benzoic acid
CID 50877562
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
2-(2-acetyloxypropoxycarbonyl)benzoic acid
CID 139316489
1-azabicyclo[2.2.2]octan-3-yl N-(2-methylpropoxy)-N-phenylcarbamate
CID 175352064
2-benzyl-N-methoxy-N,4-diphenylbenzamide
CID 87843433
5-phenyl-2-propan-2-yloxybenzoic acid
CID 83969126
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
phthalic acid;toluene
CID 174855044
2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone
CID 141289479

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid (CID 87410466) is 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid is CC(C)CON(C(=O)c1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid?
The InChIKey is ALFBENJSXQMUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17(2)16-29-25(23(26)21-10-6-7-11-22(21)24(27)28)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid?
2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid has a molecular weight of 389.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropoxy-(4-phenylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 87410466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).