(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate

C22H27NO4 — CID 84602301

IUPAC(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C22H27NO4/c1-2-25-20-10-8-18(9-11-20)14-22(24)27-17-21-16-23(12-13-26-21)15-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3
InChIKeyIUFRZBDFRQTXBW-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.07
Rot. Bonds8

About (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate

(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate (PubChem CID 84602301) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
PubChem CID84602301
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate
SMILESCCOc1ccc(CC(=O)OCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C22H27NO4/c1-2-25-20-10-8-18(9-11-20)14-22(24)27-17-21-16-23(12-13-26-21)15-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3
InChIKeyIUFRZBDFRQTXBW-UHFFFAOYSA-N
XLogP3.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
(4-benzylmorpholin-2-yl)methyl 3-(2-fluorophenyl)propanoate
CID 55368942
[(2R)-4-benzylmorpholin-2-yl]methyl benzoate
CID 54346550
ethyl 4-[3-(4-benzylmorpholin-2-yl)propoxy]benzoate;hydrochloride
CID 19983193
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
[(2S)-4-benzylmorpholin-2-yl]methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 97240581
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(4-benzylmorpholin-2-yl)methyl 2-(methanesulfonamido)-3-methylpentanoate
CID 71919615
(4-benzylmorpholin-2-yl)methyl 6-methoxy-1H-indole-2-carboxylate
CID 56586442
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate (CID 84602301) is (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate is CCOc1ccc(CC(=O)OCC2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate?
The InChIKey is IUFRZBDFRQTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-2-25-20-10-8-18(9-11-20)14-22(24)27-17-21-16-23(12-13-26-21)15-19-6-4-3-5-7-19/h3-11,21H,2,12-17H2,1H3.
What are the key properties of (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate?
(4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate has a molecular weight of 369.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl 2-(4-ethoxyphenyl)acetate is sourced from PubChem (CID 84602301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).