3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

C25H33N3O6 — CID 16611987

IUPAC3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C25H33N3O6/c1-4-32-21-15-18(16-22(33-5-2)24(21)34-6-3)25(30)27-20-9-7-19(8-10-20)26-23(29)17-28-11-13-31-14-12-28/h7-10,15-16H,4-6,11-14,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyKVTJMZNAAJTPTC-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.41
Rot. Bonds11

About 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (PubChem CID 16611987) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
PubChem CID16611987
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Name3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C25H33N3O6/c1-4-32-21-15-18(16-22(33-5-2)24(21)34-6-3)25(30)27-20-9-7-19(8-10-20)26-23(29)17-28-11-13-31-14-12-28/h7-10,15-16H,4-6,11-14,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyKVTJMZNAAJTPTC-UHFFFAOYSA-N
XLogP3.41
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4849315
3,4,5-triethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 2945862
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
CID 15990247
3,4,5-triethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597650
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (CID 16611987) is 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The InChIKey is KVTJMZNAAJTPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O6/c1-4-32-21-15-18(16-22(33-5-2)24(21)34-6-3)25(30)27-20-9-7-19(8-10-20)26-23(29)17-28-11-13-31-14-12-28/h7-10,15-16H,4-6,11-14,17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide has a molecular weight of 471.55 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 16611987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).