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

C14H20N2O3 — CID 10635340

IUPACtert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-10-12(17)15-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFWAKYMFQMUJGCI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds4

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

tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate (PubChem CID 10635340) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate
PubChem CID10635340
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-10-12(17)15-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFWAKYMFQMUJGCI-UHFFFAOYSA-N
XLogP1.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate (CID 10635340) is tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCc1ccccc1.
What is the InChIKey of tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate?
The InChIKey is FWAKYMFQMUJGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-10-12(17)15-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 10635340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).