1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one

C21H25NO3 — CID 3070016

IUPAC1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one
SMILESCCOC(C(=O)CN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-2-25-21(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20(23)17-22-13-15-24-16-14-22/h3-12H,2,13-17H2,1H3
InChIKeyNFPZIVPTJQSOSF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.87
Rot. Bonds7

About 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one

1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one (PubChem CID 3070016) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one.

Molecular Properties

Compound Name1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one
PubChem CID3070016
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one
SMILESCCOC(C(=O)CN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-2-25-21(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20(23)17-22-13-15-24-16-14-22/h3-12H,2,13-17H2,1H3
InChIKeyNFPZIVPTJQSOSF-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one?
The IUPAC name of 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one (CID 3070016) is 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one.
What is the SMILES notation for 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one?
The canonical SMILES for 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one is CCOC(C(=O)CN1CCOCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one?
The InChIKey is NFPZIVPTJQSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-25-21(18-9-5-3-6-10-18,19-11-7-4-8-12-19)20(23)17-22-13-15-24-16-14-22/h3-12H,2,13-17H2,1H3.
What are the key properties of 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one?
1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one is sourced from PubChem (CID 3070016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).