tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate

C17H26N2O3 — CID 112997331

IUPACtert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
SMILESCCc1cccc(CC)c1NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-6-12-9-8-10-13(7-2)15(12)19-14(20)11-18-16(21)22-17(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyUFROQRXKDFERAB-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.27
Rot. Bonds5

About tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate (PubChem CID 112997331) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
PubChem CID112997331
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
SMILESCCc1cccc(CC)c1NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-6-12-9-8-10-13(7-2)15(12)19-14(20)11-18-16(21)22-17(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyUFROQRXKDFERAB-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553630
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690
N-[2-(2,6-diethylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 112997279
tert-butyl N-[2-oxo-2-[3-(pentanoylamino)anilino]ethyl]carbamate
CID 108917175
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918147
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
tert-butyl N-[2-[2-(chloromethyl)-3-methylanilino]-2-oxoethyl]carbamate
CID 14368472

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate (CID 112997331) is tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate is CCc1cccc(CC)c1NC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate?
The InChIKey is UFROQRXKDFERAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-12-9-8-10-13(7-2)15(12)19-14(20)11-18-16(21)22-17(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 112997331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).