(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

C22H25NO7 — CID 16569033

IUPAC(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cccc(COC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C22H25NO7/c1-26-18-5-3-4-16(12-18)14-30-22(25)17-6-7-19(20(13-17)27-2)29-15-21(24)23-8-10-28-11-9-23/h3-7,12-13H,8-11,14-15H2,1-2H3
InChIKeyDCSZGSPMIJXWSJ-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.30
Rot. Bonds8

About (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate

(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (PubChem CID 16569033) has the molecular formula C22H25NO7 and a molecular weight of 415.44 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
PubChem CID16569033
Molecular FormulaC22H25NO7
Molecular Weight415.44 g/mol
Exact Mass415.16
IUPAC Name(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
SMILESCOc1cccc(COC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C22H25NO7/c1-26-18-5-3-4-16(12-18)14-30-22(25)17-6-7-19(20(13-17)27-2)29-15-21(24)23-8-10-28-11-9-23/h3-7,12-13H,8-11,14-15H2,1-2H3
InChIKeyDCSZGSPMIJXWSJ-UHFFFAOYSA-N
XLogP2.30
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
(2,3-dimethoxyphenyl)methyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 24980785
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974
[(1S)-1-cyanoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7277925
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569268
3-methoxy-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126023239
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
(3-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 27010764
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 42981055
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The IUPAC name of (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate (CID 16569033) is (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The canonical SMILES for (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is COc1cccc(COC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
The InChIKey is DCSZGSPMIJXWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO7/c1-26-18-5-3-4-16(12-18)14-30-22(25)17-6-7-19(20(13-17)27-2)29-15-21(24)23-8-10-28-11-9-23/h3-7,12-13H,8-11,14-15H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate?
(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate has a molecular weight of 415.44 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate is sourced from PubChem (CID 16569033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).