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Chemical ID: 6876064
Chemical ID:
6876064
Name [?]:
N-(2,4-dimethylphenyl)-4-[(4-ethoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3C)C
InChi [?]:
InChI=1/C25H26N2O4/c1-4-30-21-12-8-20(9-13-21)26-24(28)16-31-22-10-6-19(7-11-22)25(29)27-23-14-5-17(2)15-18(23)3/h5-15H,4,16H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,31,30,2,26,17,19,6,8,16,20,5,9,25,28,13,27,29,18,7,4,15,24,11,21,10,23,12,22,3,14/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCOCCCCCCNCOCOCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9287 |
Area: | 687.87 |
Solvation: | -6.26809 |
Coulombic: | -56.9677 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 418.485 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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