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

C21H26BrNO3 — CID 3070015

IUPAC1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide
SMILESBr.CCOC(C(=O)CN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3.BrH/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;1H
InChIKeyTWEPSDYRJHVSBB-UHFFFAOYSA-N
MW420.35 g/mol
LogP3.45
Rot. Bonds7

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

1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide (PubChem CID 3070015) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide.

Molecular Properties

Compound Name1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide
PubChem CID3070015
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide
SMILESBr.CCOC(C(=O)CN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3.BrH/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;1H
InChIKeyTWEPSDYRJHVSBB-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 53.45
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;hydrobromide?
The IUPAC name of 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide (CID 3070015) is 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide.
What is the SMILES notation for 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide?
The canonical SMILES for 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide is Br.CCOC(C(=O)CN1CCOCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide?
The InChIKey is TWEPSDYRJHVSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3.BrH/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;1H.
What are the key properties of 1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide?
1-ethoxy-3-morpholin-4-yl-1,1-diphenylpropan-2-one;hydrobromide has a molecular weight of 420.35 g/mol, XLogP of 3.45, 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;hydrobromide is sourced from PubChem (CID 3070015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).