tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate

C16H24N2O4 — CID 54222238

IUPACtert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCCON(C(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O4/c1-6-21-18(13-10-8-7-9-11-13)14(19)12-17(5)15(20)22-16(2,3)4/h7-11H,6,12H2,1-5H3
InChIKeyQDKJRZSVDJGFAJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate

tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 54222238) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate
PubChem CID54222238
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCCON(C(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O4/c1-6-21-18(13-10-8-7-9-11-13)14(19)12-17(5)15(20)22-16(2,3)4/h7-11H,6,12H2,1-5H3
InChIKeyQDKJRZSVDJGFAJ-UHFFFAOYSA-N
XLogP2.84
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate (CID 54222238) is tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate is CCON(C(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is QDKJRZSVDJGFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-6-21-18(13-10-8-7-9-11-13)14(19)12-17(5)15(20)22-16(2,3)4/h7-11H,6,12H2,1-5H3.
What are the key properties of tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate?
tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 308.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(N-ethoxyanilino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 54222238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).