tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate

C25H25NO3 — CID 165343205

IUPACtert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-25(2,3)29-24(28)26-21-17-11-10-16-20(21)22(18-12-6-4-7-13-18)23(27)19-14-8-5-9-15-19/h4-17,22H,1-3H3,(H,26,28)
InChIKeyUXSSPZSXKVKNFP-UHFFFAOYSA-N
MW387.48 g/mol
LogP6.05
Rot. Bonds5

About tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate

tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate (PubChem CID 165343205) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate
PubChem CID165343205
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Nametert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-25(2,3)29-24(28)26-21-17-11-10-16-20(21)22(18-12-6-4-7-13-18)23(27)19-14-8-5-9-15-19/h4-17,22H,1-3H3,(H,26,28)
InChIKeyUXSSPZSXKVKNFP-UHFFFAOYSA-N
XLogP6.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate (CID 165343205) is tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate?
The InChIKey is UXSSPZSXKVKNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-25(2,3)29-24(28)26-21-17-11-10-16-20(21)22(18-12-6-4-7-13-18)23(27)19-14-8-5-9-15-19/h4-17,22H,1-3H3,(H,26,28).
What are the key properties of tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate?
tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate has a molecular weight of 387.48 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-oxo-1,2-diphenylethyl)phenyl]carbamate is sourced from PubChem (CID 165343205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).