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Chemical ID: 7038852
Chemical ID:
7038852
Name [?]:
N-[(3-ethoxyphenyl)-(3-methylbenzoyl)amino-methyl]-3-methyl-benzamide
SMILES [?]:
CCOc1cccc(c1)C(NC(=O)c2cccc(c2)C)NC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C25H26N2O3/c1-4-30-22-13-7-10-19(16-22)23(26-24(28)20-11-5-8-17(2)14-20)27-25(29)21-12-6-9-18(3)15-21/h5-16,23H,4H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,30,2,16,26,6,17,27,7,15,25,5,19,29,9,18,28,8,14,24,4,10,12,22,11,21,13,23,3/E:(2,3)(5,6)(8,9)(11,12)(14,15)(17,18)(20,21)(24,25)(26,27)(28,29)/gE:(1,2)/rA:30nCCOCCCCCCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s10;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2099 |
Area: | 667.369 |
Solvation: | -4.47431 |
Coulombic: | -53.6933 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.486 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.81 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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