(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C24H30N2O4 — CID 2585280

IUPAC(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCOCC3)c2C1
InChIInChI=1S/C24H30N2O4/c1-24(2,3)16-8-9-20-18(14-16)22(17-6-4-5-7-19(17)25-20)23(28)30-15-21(27)26-10-12-29-13-11-26/h4-7,16H,8-15H2,1-3H3/t16-/m1/s1
InChIKeyLMXPBKSBRLOXHA-MRXNPFEDSA-N
MW410.51 g/mol
LogP3.40
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2585280) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2585280
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCOCC3)c2C1
InChIInChI=1S/C24H30N2O4/c1-24(2,3)16-8-9-20-18(14-16)22(17-6-4-5-7-19(17)25-20)23(28)30-15-21(27)26-10-12-29-13-11-26/h4-7,16H,8-15H2,1-3H3/t16-/m1/s1
InChIKeyLMXPBKSBRLOXHA-MRXNPFEDSA-N
XLogP3.40
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2585280) is (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CCOCC3)c2C1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is LMXPBKSBRLOXHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-24(2,3)16-8-9-20-18(14-16)22(17-6-4-5-7-19(17)25-20)23(28)30-15-21(27)26-10-12-29-13-11-26/h4-7,16H,8-15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2585280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).