3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide

C27H29N3O6 — CID 16552244

IUPAC3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2OC)cc1
InChIInChI=1S/C27H29N3O6/c1-33-23-10-6-20(7-11-23)28-26(31)18-36-24-12-3-19(17-25(24)34-2)27(32)29-21-4-8-22(9-5-21)30-13-15-35-16-14-30/h3-12,17H,13-16,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyGLBSQOOTEZMUIR-UHFFFAOYSA-N
MW491.54 g/mol
LogP3.81
Rot. Bonds9

About 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide

3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 16552244) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID16552244
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC Name3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2OC)cc1
InChIInChI=1S/C27H29N3O6/c1-33-23-10-6-20(7-11-23)28-26(31)18-36-24-12-3-19(17-25(24)34-2)27(32)29-21-4-8-22(9-5-21)30-13-15-35-16-14-30/h3-12,17H,13-16,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyGLBSQOOTEZMUIR-UHFFFAOYSA-N
XLogP3.81
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 17481283
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 2981319
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546421
N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16548736
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide (CID 16552244) is 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide is COc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2OC)cc1.
What is the InChIKey of 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is GLBSQOOTEZMUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-33-23-10-6-20(7-11-23)28-26(31)18-36-24-12-3-19(17-25(24)34-2)27(32)29-21-4-8-22(9-5-21)30-13-15-35-16-14-30/h3-12,17H,13-16,18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide?
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 491.54 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 16552244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).