(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate

C21H22ClNO6 — CID 16501974

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClNO6/c1-26-19-12-16(21(25)29-14-20(24)23-8-10-27-11-9-23)4-7-18(19)28-13-15-2-5-17(22)6-3-15/h2-7,12H,8-11,13-14H2,1H3
InChIKeySUCUCIXJCAXNDG-UHFFFAOYSA-N
MW419.86 g/mol
LogP2.94
Rot. Bonds7

About (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate

(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate (PubChem CID 16501974) has the molecular formula C21H22ClNO6 and a molecular weight of 419.86 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
PubChem CID16501974
Molecular FormulaC21H22ClNO6
Molecular Weight419.86 g/mol
Exact Mass419.11
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClNO6/c1-26-19-12-16(21(25)29-14-20(24)23-8-10-27-11-9-23)4-7-18(19)28-13-15-2-5-17(22)6-3-15/h2-7,12H,8-11,13-14H2,1H3
InChIKeySUCUCIXJCAXNDG-UHFFFAOYSA-N
XLogP2.94
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate with MolForge

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Related Compounds

[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501968
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659
(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569033
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600506
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2416378
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 16516084
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione
CID 23961778
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide
CID 67584480
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate (CID 16501974) is (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate is COc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate?
The InChIKey is SUCUCIXJCAXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO6/c1-26-19-12-16(21(25)29-14-20(24)23-8-10-27-11-9-23)4-7-18(19)28-13-15-2-5-17(22)6-3-15/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate?
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate has a molecular weight of 419.86 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 16501974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).