(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate

C20H21NO5 — CID 2607617

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c22-19(21-10-12-24-13-11-21)15-26-20(23)17-6-8-18(9-7-17)25-14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyIREHWLJDTZZUKF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.28
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate

(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate (PubChem CID 2607617) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
PubChem CID2607617
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c22-19(21-10-12-24-13-11-21)15-26-20(23)17-6-8-18(9-7-17)25-14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKeyIREHWLJDTZZUKF-UHFFFAOYSA-N
XLogP2.28
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 9107081
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067
(2-morpholin-4-yl-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2365991
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
(E)-2-fluoro-1-morpholin-4-yl-3-(4-phenylmethoxyphenyl)pent-2-en-1-one
CID 71741100
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7221943
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2,3-dihydroxypropyl 4-phenylmethoxybenzoate
CID 71423626
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate (CID 2607617) is (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate is O=C(OCC(=O)N1CCOCC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate?
The InChIKey is IREHWLJDTZZUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c22-19(21-10-12-24-13-11-21)15-26-20(23)17-6-8-18(9-7-17)25-14-16-4-2-1-3-5-16/h1-9H,10-15H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate?
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate has a molecular weight of 355.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate is sourced from PubChem (CID 2607617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).