tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate

C14H30N2O4 — CID 107445990

IUPACtert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
SMILESCOCCONCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-13(2,3)16(12(17)20-14(4,5)6)9-8-15-19-11-10-18-7/h15H,8-11H2,1-7H3
InChIKeyLZQGIGWVZYOJNH-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.19
Rot. Bonds7

About tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate (PubChem CID 107445990) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
PubChem CID107445990
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
SMILESCOCCONCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-13(2,3)16(12(17)20-14(4,5)6)9-8-15-19-11-10-18-7/h15H,8-11H2,1-7H3
InChIKeyLZQGIGWVZYOJNH-UHFFFAOYSA-N
XLogP2.19
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate
CID 107445688
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
CID 107445324
tert-butyl N-tert-butyl-N-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]carbamate
CID 107445830
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-(2-methylbut-3-yn-2-ylamino)ethyl]carbamate
CID 107445680
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309
tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
CID 107446039

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate (CID 107445990) is tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate is COCCONCCN(C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate?
The InChIKey is LZQGIGWVZYOJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-13(2,3)16(12(17)20-14(4,5)6)9-8-15-19-11-10-18-7/h15H,8-11H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate has a molecular weight of 290.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate is sourced from PubChem (CID 107445990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).