tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate

C12H22N2O4 — CID 19753823

IUPACtert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
SMILESCN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)13(4)9-10(15)14-5-7-17-8-6-14/h5-9H2,1-4H3
InChIKeyQZRWPFZTDCFKJD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.71
Rot. Bonds2

About tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate

tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate (PubChem CID 19753823) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
PubChem CID19753823
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate
SMILESCN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)13(4)9-10(15)14-5-7-17-8-6-14/h5-9H2,1-4H3
InChIKeyQZRWPFZTDCFKJD-UHFFFAOYSA-N
XLogP0.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)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-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate (CID 19753823) is tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate is CN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate?
The InChIKey is QZRWPFZTDCFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)13(4)9-10(15)14-5-7-17-8-6-14/h5-9H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate?
tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate has a molecular weight of 258.32 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)carbamate is sourced from PubChem (CID 19753823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).