tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate

C17H34N2O3 — CID 106397006

IUPACtert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate
SMILESC=CCCOCCNCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-8-9-13-21-14-11-18-10-12-19(16(2,3)4)15(20)22-17(5,6)7/h8,18H,1,9-14H2,2-7H3
InChIKeyHNXKUDJJJRZANZ-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.20
Rot. Bonds9

About tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate

tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate (PubChem CID 106397006) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate
PubChem CID106397006
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate
SMILESC=CCCOCCNCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-8-9-13-21-14-11-18-10-12-19(16(2,3)4)15(20)22-17(5,6)7/h8,18H,1,9-14H2,2-7H3
InChIKeyHNXKUDJJJRZANZ-UHFFFAOYSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate?
The IUPAC name of tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate (CID 106397006) is tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate?
The canonical SMILES for tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate is C=CCCOCCNCCN(C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate?
The InChIKey is HNXKUDJJJRZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-8-9-13-21-14-11-18-10-12-19(16(2,3)4)15(20)22-17(5,6)7/h8,18H,1,9-14H2,2-7H3.
What are the key properties of tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate?
tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate has a molecular weight of 314.47 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]-N-tert-butylcarbamate is sourced from PubChem (CID 106397006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).