tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate

C10H19ClN2O3 — CID 20716168

IUPACtert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cl
InChIInChI=1S/C10H19ClN2O3/c1-10(2,3)16-9(15)13(5)7-6-12(4)8(11)14/h6-7H2,1-5H3
InChIKeyASXJGFBXIYFSJC-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate (PubChem CID 20716168) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate
PubChem CID20716168
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Nametert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cl
InChIInChI=1S/C10H19ClN2O3/c1-10(2,3)16-9(15)13(5)7-6-12(4)8(11)14/h6-7H2,1-5H3
InChIKeyASXJGFBXIYFSJC-UHFFFAOYSA-N
XLogP2.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate (CID 20716168) is tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate is CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cl.
What is the InChIKey of tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is ASXJGFBXIYFSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O3/c1-10(2,3)16-9(15)13(5)7-6-12(4)8(11)14/h6-7H2,1-5H3.
What are the key properties of tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 250.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[carbonochloridoyl(methyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 20716168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).