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

C12H26N2O3 — CID 107445980

IUPACtert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
SMILESCONCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-11(2,3)14(9-8-13-16-7)10(15)17-12(4,5)6/h13H,8-9H2,1-7H3
InChIKeyOVJXQHNXWSGBAQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.17
Rot. Bonds4

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

tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate (PubChem CID 107445980) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
PubChem CID107445980
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
SMILESCONCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-11(2,3)14(9-8-13-16-7)10(15)17-12(4,5)6/h13H,8-9H2,1-7H3
InChIKeyOVJXQHNXWSGBAQ-UHFFFAOYSA-N
XLogP2.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
CID 107445990
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
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-[(2,2,3,3-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-tert-butyl-N-[2-[(2-hydroxy-3-methoxypropyl)amino]ethyl]carbamate
CID 107445688
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
CID 107445324
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-(methoxyamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate (CID 107445980) is tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate is CONCCN(C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate?
The InChIKey is OVJXQHNXWSGBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(2,3)14(9-8-13-16-7)10(15)17-12(4,5)6/h13H,8-9H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate has a molecular weight of 246.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate is sourced from PubChem (CID 107445980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).