tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate

C17H34N2O5 — CID 71844296

IUPACtert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate
SMILESCCCN(CCNC(=O)C(C)OCCOCC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O5/c1-7-10-19(16(21)24-17(4,5)6)11-9-18-15(20)14(3)23-13-12-22-8-2/h14H,7-13H2,1-6H3,(H,18,20)
InChIKeyNLNZUHCQPHUCPZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.19
Rot. Bonds11

About tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate

tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate (PubChem CID 71844296) has the molecular formula C17H34N2O5 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate
PubChem CID71844296
Molecular FormulaC17H34N2O5
Molecular Weight346.47 g/mol
Exact Mass346.25
IUPAC Nametert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate
SMILESCCCN(CCNC(=O)C(C)OCCOCC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O5/c1-7-10-19(16(21)24-17(4,5)6)11-9-18-15(20)14(3)23-13-12-22-8-2/h14H,7-13H2,1-6H3,(H,18,20)
InChIKeyNLNZUHCQPHUCPZ-UHFFFAOYSA-N
XLogP2.19
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]ethyl]-N-propylcarbamate
CID 109396585
tert-butyl N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-N-propylcarbamate
CID 109377416
tert-butyl N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109391805
tert-butyl N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate
CID 109377969
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
N-(3-aminopropyl)-2-(2-ethoxyethoxy)propanamide
CID 119407373
tert-butyl N,N-bis[2-[(2-chloroacetyl)amino]ethyl]carbamate
CID 118895154
tert-butyl N-[2-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]ethyl]-N-ethylcarbamate;hydroiodide
CID 111894418
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl N-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]-N-propylcarbamate
CID 107246113
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propylcarbamate
CID 107246051
tert-butyl N-[2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]ethyl]-N-propylcarbamate
CID 109391260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate (CID 71844296) is tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate is CCCN(CCNC(=O)C(C)OCCOCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate?
The InChIKey is NLNZUHCQPHUCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O5/c1-7-10-19(16(21)24-17(4,5)6)11-9-18-15(20)14(3)23-13-12-22-8-2/h14H,7-13H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate?
tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate has a molecular weight of 346.47 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-ethoxyethoxy)propanoylamino]ethyl]-N-propylcarbamate is sourced from PubChem (CID 71844296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).