tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate

C15H22N2O3 — CID 60596094

IUPACtert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
SMILESCCc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-5-11-6-8-12(9-7-11)17-13(18)10-16-14(19)20-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyFYUSSIOELCWUBN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate (PubChem CID 60596094) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
PubChem CID60596094
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
SMILESCCc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-5-11-6-8-12(9-7-11)17-13(18)10-16-14(19)20-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyFYUSSIOELCWUBN-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 176555922
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028
[2-(4-ethylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734160
tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
CID 172690542
tert-butyl N-[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]carbamate
CID 108916974
tert-butyl N-[2-oxo-2-[4-[[(E)-pent-2-enoyl]amino]anilino]ethyl]carbamate
CID 108917066
tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917576
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896
tert-butyl N-[2-[[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917759
tert-butyl N-[2-[4-[[3-(4-bromophenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917800
tert-butyl N-[2-[4-[3-(3-fluorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917037
tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
CID 112997331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate (CID 60596094) is tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate is CCc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate?
The InChIKey is FYUSSIOELCWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-11-6-8-12(9-7-11)17-13(18)10-16-14(19)20-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.71, 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-(4-ethylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 60596094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).