tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate

C21H26N2O3 — CID 18369537

IUPACtert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)22-14-19(24)23(15-17-10-6-4-7-11-17)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,22,25)
InChIKeyIADONWCKNRHZJZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.74
Rot. Bonds6

About tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate

tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate (PubChem CID 18369537) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
PubChem CID18369537
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nametert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)22-14-19(24)23(15-17-10-6-4-7-11-17)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,22,25)
InChIKeyIADONWCKNRHZJZ-UHFFFAOYSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate (CID 18369537) is tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate?
The InChIKey is IADONWCKNRHZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)22-14-19(24)23(15-17-10-6-4-7-11-17)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 18369537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).