(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride

C22H28ClNO4 — CID 6603439

IUPAC(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride
SMILESCl.O=C(Cc1ccccc1)OC(COCc1ccccc1)CN1CCOCC1
InChIInChI=1S/C22H27NO4.ClH/c24-22(15-19-7-3-1-4-8-19)27-21(16-23-11-13-25-14-12-23)18-26-17-20-9-5-2-6-10-20;/h1-10,21H,11-18H2;1H
InChIKeyAWWRAGUSFBQDFZ-UHFFFAOYSA-N
MW405.92 g/mol
LogP3.11
Rot. Bonds9

About (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride

(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride (PubChem CID 6603439) has the molecular formula C22H28ClNO4 and a molecular weight of 405.92 g/mol. Its IUPAC name is (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride.

Molecular Properties

Compound Name(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride
PubChem CID6603439
Molecular FormulaC22H28ClNO4
Molecular Weight405.92 g/mol
Exact Mass405.17
IUPAC Name(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride
SMILESCl.O=C(Cc1ccccc1)OC(COCc1ccccc1)CN1CCOCC1
InChIInChI=1S/C22H27NO4.ClH/c24-22(15-19-7-3-1-4-8-19)27-21(16-23-11-13-25-14-12-23)18-26-17-20-9-5-2-6-10-20;/h1-10,21H,11-18H2;1H
InChIKeyAWWRAGUSFBQDFZ-UHFFFAOYSA-N
XLogP3.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.92
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride?
The IUPAC name of (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride (CID 6603439) is (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride.
What is the SMILES notation for (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride?
The canonical SMILES for (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride is Cl.O=C(Cc1ccccc1)OC(COCc1ccccc1)CN1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride?
The InChIKey is AWWRAGUSFBQDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4.ClH/c24-22(15-19-7-3-1-4-8-19)27-21(16-23-11-13-25-14-12-23)18-26-17-20-9-5-2-6-10-20;/h1-10,21H,11-18H2;1H.
What are the key properties of (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride?
(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride has a molecular weight of 405.92 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) 2-phenylacetate;hydrochloride is sourced from PubChem (CID 6603439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).