tert-butyl N-(1-phenylpropan-2-yl)carbamate

C14H21NO2 — CID 19706139

IUPACtert-butyl N-(1-phenylpropan-2-yl)carbamate
SMILESCC(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15-13(16)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)
InChIKeyNTQSCEHKRVIYNR-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl N-(1-phenylpropan-2-yl)carbamate

tert-butyl N-(1-phenylpropan-2-yl)carbamate (PubChem CID 19706139) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl N-(1-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylpropan-2-yl)carbamate
PubChem CID19706139
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametert-butyl N-(1-phenylpropan-2-yl)carbamate
SMILESCC(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15-13(16)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)
InChIKeyNTQSCEHKRVIYNR-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-phenylpropan-2-yl)carbamate (CID 19706139) is tert-butyl N-(1-phenylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylpropan-2-yl)carbamate is CC(Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-phenylpropan-2-yl)carbamate?
The InChIKey is NTQSCEHKRVIYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(10-12-8-6-5-7-9-12)15-13(16)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(1-phenylpropan-2-yl)carbamate?
tert-butyl N-(1-phenylpropan-2-yl)carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 19706139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).