tert-butyl N-(ethoxymethoxymethyl)carbamate

C9H19NO4 — CID 139448303

IUPACtert-butyl N-(ethoxymethoxymethyl)carbamate
SMILESCCOCOCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-5-12-7-13-6-10-8(11)14-9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyZFTPTMWFVSRQBM-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.48
Rot. Bonds5

About tert-butyl N-(ethoxymethoxymethyl)carbamate

tert-butyl N-(ethoxymethoxymethyl)carbamate (PubChem CID 139448303) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl N-(ethoxymethoxymethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(ethoxymethoxymethyl)carbamate
PubChem CID139448303
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl N-(ethoxymethoxymethyl)carbamate
SMILESCCOCOCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO4/c1-5-12-7-13-6-10-8(11)14-9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyZFTPTMWFVSRQBM-UHFFFAOYSA-N
XLogP1.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 87598465
tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate
CID 143202067
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-(ethylaminomethyl)carbamate
CID 141447583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(ethoxymethoxymethyl)carbamate?
The IUPAC name of tert-butyl N-(ethoxymethoxymethyl)carbamate (CID 139448303) is tert-butyl N-(ethoxymethoxymethyl)carbamate.
What is the SMILES notation for tert-butyl N-(ethoxymethoxymethyl)carbamate?
The canonical SMILES for tert-butyl N-(ethoxymethoxymethyl)carbamate is CCOCOCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(ethoxymethoxymethyl)carbamate?
The InChIKey is ZFTPTMWFVSRQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-5-12-7-13-6-10-8(11)14-9(2,3)4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of tert-butyl N-(ethoxymethoxymethyl)carbamate?
tert-butyl N-(ethoxymethoxymethyl)carbamate has a molecular weight of 205.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(ethoxymethoxymethyl)carbamate is sourced from PubChem (CID 139448303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).