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

C15H22N2O4 — CID 172690542

IUPACtert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
SMILESCCc1ccc(NC(=O)CONC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O4/c1-5-11-6-8-12(9-7-11)16-13(18)10-20-17-14(19)21-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyBPRAKIFZEPMLMB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.64
Rot. Bonds5

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

tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate (PubChem CID 172690542) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
PubChem CID172690542
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
SMILESCCc1ccc(NC(=O)CONC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O4/c1-5-11-6-8-12(9-7-11)16-13(18)10-20-17-14(19)21-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyBPRAKIFZEPMLMB-UHFFFAOYSA-N
XLogP2.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734160
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
tert-butyl N-[(4-ethylphenyl)carbamothioylamino]carbamate
CID 7988138
tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
CID 88940321
tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate
CID 172820923
tert-butyl N-[1-[[amino-(4-ethylanilino)methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111757740
tert-butyl N-[2-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 176555922
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate
CID 113046746
tert-butyl N-[2-(3,5-dibromo-2-hydroxyanilino)-2-oxoethoxy]carbamate
CID 118586496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate (CID 172690542) is tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate is CCc1ccc(NC(=O)CONC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate?
The InChIKey is BPRAKIFZEPMLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-11-6-8-12(9-7-11)16-13(18)10-20-17-14(19)21-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate?
tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.64, 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-(4-ethylanilino)-2-oxoethoxy]carbamate is sourced from PubChem (CID 172690542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).