5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide

C26H25N3O6 — CID 155535533

IUPAC5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCOCC3=O)cc2)c(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C26H25N3O6/c1-33-19-11-12-21(20(15-19)26(32)28-22-5-3-4-6-23(22)34-2)27-25(31)17-7-9-18(10-8-17)29-13-14-35-16-24(29)30/h3-12,15H,13-14,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyZESHZMXLEDNWTB-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.57
Rot. Bonds7

About 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide

5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide (PubChem CID 155535533) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide
PubChem CID155535533
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCOCC3=O)cc2)c(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C26H25N3O6/c1-33-19-11-12-21(20(15-19)26(32)28-22-5-3-4-6-23(22)34-2)27-25(31)17-7-9-18(10-8-17)29-13-14-35-16-24(29)30/h3-12,15H,13-14,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyZESHZMXLEDNWTB-UHFFFAOYSA-N
XLogP3.57
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide?
The IUPAC name of 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide (CID 155535533) is 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide?
The canonical SMILES for 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(N3CCOCC3=O)cc2)c(C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide?
The InChIKey is ZESHZMXLEDNWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-33-19-11-12-21(20(15-19)26(32)28-22-5-3-4-6-23(22)34-2)27-25(31)17-7-9-18(10-8-17)29-13-14-35-16-24(29)30/h3-12,15H,13-14,16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide?
5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide has a molecular weight of 475.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methoxyphenyl)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 155535533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).