[1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate

C23H25NO4 — CID 174704942

IUPAC[1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)CCC1
InChIInChI=1S/C23H25NO4/c1-22(2,3)24-21(27)28-23(14-7-15-23)18-12-10-17(11-13-18)20(26)19(25)16-8-5-4-6-9-16/h4-6,8-13H,7,14-15H2,1-3H3,(H,24,27)
InChIKeyZTUHKWNSKPISPC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.66
Rot. Bonds5

About [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate

[1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate (PubChem CID 174704942) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate
PubChem CID174704942
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)CCC1
InChIInChI=1S/C23H25NO4/c1-22(2,3)24-21(27)28-23(14-7-15-23)18-12-10-17(11-13-18)20(26)19(25)16-8-5-4-6-9-16/h4-6,8-13H,7,14-15H2,1-3H3,(H,24,27)
InChIKeyZTUHKWNSKPISPC-UHFFFAOYSA-N
XLogP4.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate (CID 174704942) is [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)CCC1.
What is the InChIKey of [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate?
The InChIKey is ZTUHKWNSKPISPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-22(2,3)24-21(27)28-23(14-7-15-23)18-12-10-17(11-13-18)20(26)19(25)16-8-5-4-6-9-16/h4-6,8-13H,7,14-15H2,1-3H3,(H,24,27).
What are the key properties of [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate?
[1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate has a molecular weight of 379.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-oxo-2-phenylacetyl)phenyl]cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 174704942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).