tert-butyl N-benzoyl-N-propan-2-ylcarbamate

C15H21NO3 — CID 122205870

IUPACtert-butyl N-benzoyl-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)16(14(18)19-15(3,4)5)13(17)12-9-7-6-8-10-12/h6-11H,1-5H3
InChIKeyOVNLSOYWONMLDY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl N-benzoyl-N-propan-2-ylcarbamate

tert-butyl N-benzoyl-N-propan-2-ylcarbamate (PubChem CID 122205870) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-benzoyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-benzoyl-N-propan-2-ylcarbamate
PubChem CID122205870
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-benzoyl-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)16(14(18)19-15(3,4)5)13(17)12-9-7-6-8-10-12/h6-11H,1-5H3
InChIKeyOVNLSOYWONMLDY-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzoyl-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-benzoyl-N-propan-2-ylcarbamate (CID 122205870) is tert-butyl N-benzoyl-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-benzoyl-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-benzoyl-N-propan-2-ylcarbamate is CC(C)N(C(=O)OC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-benzoyl-N-propan-2-ylcarbamate?
The InChIKey is OVNLSOYWONMLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)16(14(18)19-15(3,4)5)13(17)12-9-7-6-8-10-12/h6-11H,1-5H3.
What are the key properties of tert-butyl N-benzoyl-N-propan-2-ylcarbamate?
tert-butyl N-benzoyl-N-propan-2-ylcarbamate has a molecular weight of 263.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzoyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 122205870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).