tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate

C20H24N2O4 — CID 10760721

IUPACtert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)21-13-18(23)22-16-11-7-8-12-17(16)25-14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRBUMLKSJTHPXIT-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.73
Rot. Bonds6

About tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate

tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate (PubChem CID 10760721) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate
PubChem CID10760721
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nametert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)21-13-18(23)22-16-11-7-8-12-17(16)25-14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRBUMLKSJTHPXIT-UHFFFAOYSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate (CID 10760721) is tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate?
The InChIKey is RBUMLKSJTHPXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)21-13-18(23)22-16-11-7-8-12-17(16)25-14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(2-phenylmethoxyanilino)ethyl]carbamate is sourced from PubChem (CID 10760721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).