1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate

C22H27NO3 — CID 2927876

IUPAC1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate
SMILESCC(CN1CCOCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-18(17-23-13-15-25-16-14-23)26-21(24)22(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3
InChIKeyPCTYGKPOYPLDBQ-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.26
Rot. Bonds6

About 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate

1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate (PubChem CID 2927876) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate
PubChem CID2927876
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate
SMILESCC(CN1CCOCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3/c1-18(17-23-13-15-25-16-14-23)26-21(24)22(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3
InChIKeyPCTYGKPOYPLDBQ-UHFFFAOYSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate (CID 2927876) is 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate is CC(CN1CCOCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate?
The InChIKey is PCTYGKPOYPLDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-18(17-23-13-15-25-16-14-23)26-21(24)22(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate?
1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate has a molecular weight of 353.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 2,2-diphenylpropanoate is sourced from PubChem (CID 2927876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).