tert-butyl N-(1-methoxyethoxymethyl)carbamate

C9H19NO4 — CID 19880159

IUPACtert-butyl N-(1-methoxyethoxymethyl)carbamate
SMILESCOC(C)OCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-7(12-5)13-6-10-8(11)14-9(2,3)4/h7H,6H2,1-5H3,(H,10,11)
InChIKeyLACAQYNAZWEYFB-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.48
Rot. Bonds4

About tert-butyl N-(1-methoxyethoxymethyl)carbamate

tert-butyl N-(1-methoxyethoxymethyl)carbamate (PubChem CID 19880159) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl N-(1-methoxyethoxymethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methoxyethoxymethyl)carbamate
PubChem CID19880159
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl N-(1-methoxyethoxymethyl)carbamate
SMILESCOC(C)OCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-7(12-5)13-6-10-8(11)14-9(2,3)4/h7H,6H2,1-5H3,(H,10,11)
InChIKeyLACAQYNAZWEYFB-UHFFFAOYSA-N
XLogP1.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-(1-methoxyethoxymethyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methoxyethoxymethyl)carbamate?
The IUPAC name of tert-butyl N-(1-methoxyethoxymethyl)carbamate (CID 19880159) is tert-butyl N-(1-methoxyethoxymethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methoxyethoxymethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-methoxyethoxymethyl)carbamate is COC(C)OCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-methoxyethoxymethyl)carbamate?
The InChIKey is LACAQYNAZWEYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(12-5)13-6-10-8(11)14-9(2,3)4/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of tert-butyl N-(1-methoxyethoxymethyl)carbamate?
tert-butyl N-(1-methoxyethoxymethyl)carbamate has a molecular weight of 205.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methoxyethoxymethyl)carbamate is sourced from PubChem (CID 19880159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).