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Chemical ID: 4196527
Chemical ID:
4196527
Name [?]:
N-[(3,4-dimethoxyphenyl)-(3-methylbenzoyl)amino-methyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NC(c2ccc(c(c2)OC)OC)NC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C25H26N2O4/c1-16-7-5-9-19(13-16)24(28)26-23(18-11-12-21(30-3)22(15-18)31-4)27-25(29)20-10-6-8-17(2)14-20/h5-15,23H,1-4H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,31,21,19,4,27,3,28,5,26,13,14,7,30,17,2,29,12,6,25,15,16,11,8,23,10,22,9,24,20,18/E:(1,2)(5,6)(7,8)(9,10)(13,14)(16,17)(19,20)(24,25)(26,27)(28,29)/gE:(1,2)/rA:31cCCCCCCCCONCCCCCCCOCOCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s11;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96681 |
Area: | 666.963 |
Solvation: | -6.70727 |
Coulombic: | -59.4898 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.485 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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