3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C22H26N2O6 — CID 24980952

IUPAC3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C22H26N2O6/c1-27-18-5-3-4-16(12-18)14-23-22(26)17-6-7-19(20(13-17)28-2)30-15-21(25)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKeyJSPYZVDZOUHSNP-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.87
Rot. Bonds8

About 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 24980952) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID24980952
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C22H26N2O6/c1-27-18-5-3-4-16(12-18)14-23-22(26)17-6-7-19(20(13-17)28-2)30-15-21(25)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKeyJSPYZVDZOUHSNP-UHFFFAOYSA-N
XLogP1.87
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 24980952) is 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is COc1cccc(CNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1.
What is the InChIKey of 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is JSPYZVDZOUHSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-27-18-5-3-4-16(12-18)14-23-22(26)17-6-7-19(20(13-17)28-2)30-15-21(25)24-8-10-29-11-9-24/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26).
What are the key properties of 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 414.46 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 24980952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).