butyl 4-(diphenylcarbamoyl)benzoate

C24H23NO3 — CID 91733806

IUPACbutyl 4-(diphenylcarbamoyl)benzoate
SMILESCCCCOC(=O)c1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-2-3-18-28-24(27)20-16-14-19(15-17-20)23(26)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,2-3,18H2,1H3
InChIKeyWLOHOSBCXMEBNA-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.62
Rot. Bonds7

About butyl 4-(diphenylcarbamoyl)benzoate

butyl 4-(diphenylcarbamoyl)benzoate (PubChem CID 91733806) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is butyl 4-(diphenylcarbamoyl)benzoate.

Molecular Properties

Compound Namebutyl 4-(diphenylcarbamoyl)benzoate
PubChem CID91733806
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namebutyl 4-(diphenylcarbamoyl)benzoate
SMILESCCCCOC(=O)c1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-2-3-18-28-24(27)20-16-14-19(15-17-20)23(26)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,2-3,18H2,1H3
InChIKeyWLOHOSBCXMEBNA-UHFFFAOYSA-N
XLogP5.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(111C)butyl benzoate
CID 11994383
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide
CID 157213246
butyl benzoate;hexyl benzoate
CID 22163024
1,1'-biphenyl;butyl benzoate
CID 67401065
methanol;pentyl benzoate
CID 175222419
hexyl benzoate
CID 23235
CID 172820816
CID 172820816
CID 162308343
CID 162308343
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204

Frequently Asked Questions

What is the IUPAC name of butyl 4-(diphenylcarbamoyl)benzoate?
The IUPAC name of butyl 4-(diphenylcarbamoyl)benzoate (CID 91733806) is butyl 4-(diphenylcarbamoyl)benzoate.
What is the SMILES notation for butyl 4-(diphenylcarbamoyl)benzoate?
The canonical SMILES for butyl 4-(diphenylcarbamoyl)benzoate is CCCCOC(=O)c1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of butyl 4-(diphenylcarbamoyl)benzoate?
The InChIKey is WLOHOSBCXMEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-3-18-28-24(27)20-16-14-19(15-17-20)23(26)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,2-3,18H2,1H3.
What are the key properties of butyl 4-(diphenylcarbamoyl)benzoate?
butyl 4-(diphenylcarbamoyl)benzoate has a molecular weight of 373.45 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(diphenylcarbamoyl)benzoate is sourced from PubChem (CID 91733806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).