tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate

C20H24ClNO2 — CID 132850531

IUPACtert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-20(2,3)24-19(23)22(15-16-9-5-4-6-10-16)14-13-17-11-7-8-12-18(17)21/h4-12H,13-15H2,1-3H3
InChIKeyWYWAGNGYANFVNL-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.32
Rot. Bonds5

About tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate

tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate (PubChem CID 132850531) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate
PubChem CID132850531
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Nametert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-20(2,3)24-19(23)22(15-16-9-5-4-6-10-16)14-13-17-11-7-8-12-18(17)21/h4-12H,13-15H2,1-3H3
InChIKeyWYWAGNGYANFVNL-UHFFFAOYSA-N
XLogP5.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate (CID 132850531) is tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate is CC(C)(C)OC(=O)N(CCc1ccccc1Cl)Cc1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate?
The InChIKey is WYWAGNGYANFVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-20(2,3)24-19(23)22(15-16-9-5-4-6-10-16)14-13-17-11-7-8-12-18(17)21/h4-12H,13-15H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate?
tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate has a molecular weight of 345.87 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 132850531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).