[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate

C25H25NO3 — CID 19221621

IUPAC[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
SMILESCC(C)c1ccc(CCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO3/c1-18(2)20-11-8-19(9-12-20)10-17-24(27)29-23-15-13-21(14-16-23)25(28)26-22-6-4-3-5-7-22/h3-9,11-16,18H,10,17H2,1-2H3,(H,26,28)
InChIKeyOESNTIYFYSSTCK-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.60
Rot. Bonds7

About [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate

[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate (PubChem CID 19221621) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
PubChem CID19221621
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
SMILESCC(C)c1ccc(CCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO3/c1-18(2)20-11-8-19(9-12-20)10-17-24(27)29-23-15-13-21(14-16-23)25(28)26-22-6-4-3-5-7-22/h3-9,11-16,18H,10,17H2,1-2H3,(H,26,28)
InChIKeyOESNTIYFYSSTCK-UHFFFAOYSA-N
XLogP5.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
CID 19221602
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
CID 34465464
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate
CID 55923570
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide
CID 71552206
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
[5-[4-[(4-benzamidobenzoyl)amino]phenoxy]-5-oxopentyl]-triphenylphosphanium
CID 88754434

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate (CID 19221621) is [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate is CC(C)c1ccc(CCC(=O)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate?
The InChIKey is OESNTIYFYSSTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-18(2)20-11-8-19(9-12-20)10-17-24(27)29-23-15-13-21(14-16-23)25(28)26-22-6-4-3-5-7-22/h3-9,11-16,18H,10,17H2,1-2H3,(H,26,28).
What are the key properties of [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate?
[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate has a molecular weight of 387.48 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 19221621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).