(2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate

C19H29NO3 — CID 23792212

IUPAC(2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCC(C)(C)CN2CCOCC2)cc1
InChIInChI=1S/C19H29NO3/c1-15(2)16-5-7-17(8-6-16)18(21)23-14-19(3,4)13-20-9-11-22-12-10-20/h5-8,15H,9-14H2,1-4H3
InChIKeySGXSQYAEXYDEJY-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.33
Rot. Bonds6

About (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate

(2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate (PubChem CID 23792212) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name(2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate
PubChem CID23792212
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCC(C)(C)CN2CCOCC2)cc1
InChIInChI=1S/C19H29NO3/c1-15(2)16-5-7-17(8-6-16)18(21)23-14-19(3,4)13-20-9-11-22-12-10-20/h5-8,15H,9-14H2,1-4H3
InChIKeySGXSQYAEXYDEJY-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate?
The IUPAC name of (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate (CID 23792212) is (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate.
What is the SMILES notation for (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate?
The canonical SMILES for (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate is CC(C)c1ccc(C(=O)OCC(C)(C)CN2CCOCC2)cc1.
What is the InChIKey of (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate?
The InChIKey is SGXSQYAEXYDEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15(2)16-5-7-17(8-6-16)18(21)23-14-19(3,4)13-20-9-11-22-12-10-20/h5-8,15H,9-14H2,1-4H3.
What are the key properties of (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate?
(2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate has a molecular weight of 319.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate is sourced from PubChem (CID 23792212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).