tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate

C10H20N2O3 — CID 177330267

IUPACtert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
SMILESCCN(CCNC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-5-12(7-6-11-8-13)9(14)15-10(2,3)4/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyYBSVWEDRVZJSNW-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.99
Rot. Bonds5

About tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate

tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate (PubChem CID 177330267) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
PubChem CID177330267
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
SMILESCCN(CCNC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-5-12(7-6-11-8-13)9(14)15-10(2,3)4/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyYBSVWEDRVZJSNW-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 102671978
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886
tert-butyl N-ethyl-N-[2-(2-methylpentylamino)ethyl]carbamate
CID 107245361
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
tert-butyl N-ethyl-N-[2-[(2,4,5-trimethylphenyl)methylamino]ethyl]carbamate
CID 107245427
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-ethyl-N-[2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 110982138

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate (CID 177330267) is tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate is CCN(CCNC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate?
The InChIKey is YBSVWEDRVZJSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-12(7-6-11-8-13)9(14)15-10(2,3)4/h8H,5-7H2,1-4H3,(H,11,13).
What are the key properties of tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate?
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate is sourced from PubChem (CID 177330267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).