diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride

C22H30ClNO3 — CID 15000

IUPACdiethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride
SMILESCC[NH+](CC)CC(C)OC(=O)C(OC)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H29NO3.ClH/c1-5-23(6-2)17-18(3)26-21(24)22(25-4,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,18H,5-6,17H2,1-4H3;1H
InChIKeyYYBKYSOOOQALJU-UHFFFAOYSA-N
MW391.94 g/mol
LogP-0.56
Rot. Bonds9

About diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride

diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride (PubChem CID 15000) has the molecular formula C22H30ClNO3 and a molecular weight of 391.94 g/mol. Its IUPAC name is diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride
PubChem CID15000
Molecular FormulaC22H30ClNO3
Molecular Weight391.94 g/mol
Exact Mass391.19
IUPAC Namediethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride
SMILESCC[NH+](CC)CC(C)OC(=O)C(OC)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H29NO3.ClH/c1-5-23(6-2)17-18(3)26-21(24)22(25-4,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,18H,5-6,17H2,1-4H3;1H
InChIKeyYYBKYSOOOQALJU-UHFFFAOYSA-N
XLogP-0.56
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride?
The IUPAC name of diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride (CID 15000) is diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride?
The canonical SMILES for diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride is CC[NH+](CC)CC(C)OC(=O)C(OC)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride?
The InChIKey is YYBKYSOOOQALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3.ClH/c1-5-23(6-2)17-18(3)26-21(24)22(25-4,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7-16,18H,5-6,17H2,1-4H3;1H.
What are the key properties of diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride?
diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride has a molecular weight of 391.94 g/mol, XLogP of -0.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxypropyl]azanium chloride is sourced from PubChem (CID 15000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).