tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate

C15H19BrN2O4 — CID 89494811

IUPACtert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)c1ccccc1Br
InChIInChI=1S/C15H19BrN2O4/c1-15(2,3)22-14(21)18-9-13(20)17-8-12(19)10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyXQNHBOPDXCNHTO-UHFFFAOYSA-N
MW371.23 g/mol
LogP2.27
Rot. Bonds5

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

tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 89494811) has the molecular formula C15H19BrN2O4 and a molecular weight of 371.23 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID89494811
Molecular FormulaC15H19BrN2O4
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC Nametert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)c1ccccc1Br
InChIInChI=1S/C15H19BrN2O4/c1-15(2,3)22-14(21)18-9-13(20)17-8-12(19)10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyXQNHBOPDXCNHTO-UHFFFAOYSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
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tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
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tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
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tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
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tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 89494811) is tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCC(=O)c1ccccc1Br.
What is the InChIKey of tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is XQNHBOPDXCNHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4/c1-15(2,3)22-14(21)18-9-13(20)17-8-12(19)10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 371.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(2-bromophenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 89494811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).