2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine

C23H45N3O3 — CID 126513707

IUPAC2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine
SMILESCC(C)CN1CCOC(CC(C)N2CC(C)OC(CC(C)N3CCOCC3)C2)C1
InChIInChI=1S/C23H45N3O3/c1-18(2)14-24-6-11-28-22(16-24)12-20(4)26-15-21(5)29-23(17-26)13-19(3)25-7-9-27-10-8-25/h18-23H,6-17H2,1-5H3
InChIKeyGNWOAOFDMVEMHI-UHFFFAOYSA-N
MW411.63 g/mol
LogP2.32
Rot. Bonds8

About 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine

2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine (PubChem CID 126513707) has the molecular formula C23H45N3O3 and a molecular weight of 411.63 g/mol. Its IUPAC name is 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine.

Molecular Properties

Compound Name2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine
PubChem CID126513707
Molecular FormulaC23H45N3O3
Molecular Weight411.63 g/mol
Exact Mass411.35
IUPAC Name2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine
SMILESCC(C)CN1CCOC(CC(C)N2CC(C)OC(CC(C)N3CCOCC3)C2)C1
InChIInChI=1S/C23H45N3O3/c1-18(2)14-24-6-11-28-22(16-24)12-20(4)26-15-21(5)29-23(17-26)13-19(3)25-7-9-27-10-8-25/h18-23H,6-17H2,1-5H3
InChIKeyGNWOAOFDMVEMHI-UHFFFAOYSA-N
XLogP2.32
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.63
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine?
The IUPAC name of 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine (CID 126513707) is 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine.
What is the SMILES notation for 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine?
The canonical SMILES for 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine is CC(C)CN1CCOC(CC(C)N2CC(C)OC(CC(C)N3CCOCC3)C2)C1.
What is the InChIKey of 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine?
The InChIKey is GNWOAOFDMVEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O3/c1-18(2)14-24-6-11-28-22(16-24)12-20(4)26-15-21(5)29-23(17-26)13-19(3)25-7-9-27-10-8-25/h18-23H,6-17H2,1-5H3.
What are the key properties of 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine?
2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine has a molecular weight of 411.63 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[4-(2-methylpropyl)morpholin-2-yl]propan-2-yl]-6-(2-morpholin-4-ylpropyl)morpholine is sourced from PubChem (CID 126513707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).