tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate

C18H22N2O3 — CID 142626450

IUPACtert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)20(16(19)21)11-10-13-8-9-14-6-4-5-7-15(14)12-13/h4-9,12H,10-11H2,1-3H3,(H2,19,21)
InChIKeyDLEVOOIOQQEZBI-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.70
Rot. Bonds3

About tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate

tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate (PubChem CID 142626450) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate
PubChem CID142626450
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nametert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)20(16(19)21)11-10-13-8-9-14-6-4-5-7-15(14)12-13/h4-9,12H,10-11H2,1-3H3,(H2,19,21)
InChIKeyDLEVOOIOQQEZBI-UHFFFAOYSA-N
XLogP3.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate (CID 142626450) is tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate is CC(C)(C)OC(=O)N(CCc1ccc2ccccc2c1)C(N)=O.
What is the InChIKey of tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate?
The InChIKey is DLEVOOIOQQEZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)23-17(22)20(16(19)21)11-10-13-8-9-14-6-4-5-7-15(14)12-13/h4-9,12H,10-11H2,1-3H3,(H2,19,21).
What are the key properties of tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate?
tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate has a molecular weight of 314.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-carbamoyl-N-(2-naphthalen-2-ylethyl)carbamate is sourced from PubChem (CID 142626450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).