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Chemical ID: 7038063
Chemical ID:
7038063
Name [?]:
N-[(4-hexoxy-3-methoxy-phenyl)-(3-methylbenzoyl)amino-methyl]-3-methyl-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C(NC(=O)c2cccc(c2)C)NC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C30H36N2O4/c1-5-6-7-8-17-36-26-16-15-23(20-27(26)35-4)28(31-29(33)24-13-9-11-21(2)18-24)32-30(34)25-14-10-12-22(3)19-25/h9-16,18-20,28H,5-8,17H2,1-4H3,(H,31,33)(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,26,36,15,2,3,4,5,22,32,23,33,21,31,10,9,6,25,35,12,24,34,11,20,30,8,13,16,18,28,17,27,19,29,14,7/E:(2,3)(9,10)(11,12)(13,14)(18,19)(21,22)(24,25)(29,30)(31,32)(33,34)/gE:(1,2)/rA:36nCCCCCCOCCCCCCOCCNCOCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s16;s27;d28;s28;s30;d31;s32;d33;d30s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H36N2O4 |
All Atoms: | 72 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5096 |
Area: | 804.135 |
Solvation: | -6.59376 |
Coulombic: | -61.1574 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 488.618 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 7.52 |
LogP (Chemaxon): | 6.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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