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Chemical ID: 4158874
Chemical ID:
4158874
Name [?]:
N-(2-ethoxyphenyl)-4-(phenylcarbamoylmethoxy)benzamide
SMILES [?]:
CCOc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C23H22N2O4/c1-2-28-21-11-7-6-10-20(21)25-23(27)17-12-14-19(15-13-17)29-16-22(26)24-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,27,26,28,7,6,25,29,8,5,14,18,15,17,20,13,24,16,9,4,21,11,23,10,22,12,3,19/E:(4,5)(8,9)(12,13)(14,15)/rA:29nCCOCCCCCCNCOCCCCCCOCCONCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0929 |
Area: | 642.679 |
Solvation: | -5.97406 |
Coulombic: | -58.5113 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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