4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine

C18H36N2O5 — CID 159662819

IUPAC4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.COC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C12H21NO5.C6H15N/c1-11(2,3)18-10(15)13-6-7-17-12(4,8-13)9(14)16-5;1-5(2)7-6(3)4/h6-8H2,1-5H3;5-7H,1-4H3
InChIKeyMTAJDDOIZYKDNJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.58
Rot. Bonds3

About 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine

4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine (PubChem CID 159662819) has the molecular formula C18H36N2O5 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine
PubChem CID159662819
Molecular FormulaC18H36N2O5
Molecular Weight360.50 g/mol
Exact Mass360.26
IUPAC Name4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.COC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C12H21NO5.C6H15N/c1-11(2,3)18-10(15)13-6-7-17-12(4,8-13)9(14)16-5;1-5(2)7-6(3)4/h6-8H2,1-5H3;5-7H,1-4H3
InChIKeyMTAJDDOIZYKDNJ-UHFFFAOYSA-N
XLogP2.58
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine?
The IUPAC name of 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine (CID 159662819) is 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine?
The canonical SMILES for 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.COC(=O)C1(C)CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine?
The InChIKey is MTAJDDOIZYKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5.C6H15N/c1-11(2,3)18-10(15)13-6-7-17-12(4,8-13)9(14)16-5;1-5(2)7-6(3)4/h6-8H2,1-5H3;5-7H,1-4H3.
What are the key properties of 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine?
4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine has a molecular weight of 360.50 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 2-O-methyl 2-methylmorpholine-2,4-dicarboxylate;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 159662819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).