3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide

C24H28N4O4 — CID 18286878

IUPAC3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc1OCC
InChIInChI=1S/C24H28N4O4/c1-4-31-21-11-8-19(14-22(21)32-5-2)24(30)26-15-23(29)27-17(3)18-6-9-20(10-7-18)28-13-12-25-16-28/h6-14,16-17H,4-5,15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyWNHBYVXVYMAFEE-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.28
Rot. Bonds10

About 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 18286878) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID18286878
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc1OCC
InChIInChI=1S/C24H28N4O4/c1-4-31-21-11-8-19(14-22(21)32-5-2)24(30)26-15-23(29)27-17(3)18-6-9-20(10-7-18)28-13-12-25-16-28/h6-14,16-17H,4-5,15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyWNHBYVXVYMAFEE-UHFFFAOYSA-N
XLogP3.28
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide (CID 18286878) is 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NC(C)c2ccc(-n3ccnc3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is WNHBYVXVYMAFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-4-31-21-11-8-19(14-22(21)32-5-2)24(30)26-15-23(29)27-17(3)18-6-9-20(10-7-18)28-13-12-25-16-28/h6-14,16-17H,4-5,15H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18286878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).