(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate

C22H24ClNO6 — CID 16501968

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC(C)C(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO6/c1-15(21(25)24-9-11-28-12-10-24)30-22(26)17-5-8-19(20(13-17)27-2)29-14-16-3-6-18(23)7-4-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyILNQOFKKASBHEG-UHFFFAOYSA-N
MW433.89 g/mol
LogP3.33
Rot. Bonds7

About (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate

(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate (PubChem CID 16501968) has the molecular formula C22H24ClNO6 and a molecular weight of 433.89 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
PubChem CID16501968
Molecular FormulaC22H24ClNO6
Molecular Weight433.89 g/mol
Exact Mass433.13
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC(C)C(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO6/c1-15(21(25)24-9-11-28-12-10-24)30-22(26)17-5-8-19(20(13-17)27-2)29-14-16-3-6-18(23)7-4-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyILNQOFKKASBHEG-UHFFFAOYSA-N
XLogP3.33
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate
CID 55326204
[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione
CID 23961778
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16506175
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 46819386
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17427270
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 25402275
[(1S)-1-cyanoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7277925
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196715
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide
CID 67584480

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate (CID 16501968) is (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate is COc1cc(C(=O)OC(C)C(=O)N2CCOCC2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate?
The InChIKey is ILNQOFKKASBHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO6/c1-15(21(25)24-9-11-28-12-10-24)30-22(26)17-5-8-19(20(13-17)27-2)29-14-16-3-6-18(23)7-4-16/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate has a molecular weight of 433.89 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 16501968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).