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Chemical ID: 7488304
Chemical ID:
7488304
Name [?]:
2-butoxy-N-[3-(2-butoxybenzoyl)aminopropyl]benzamide
SMILES [?]:
CCCCOc1ccccc1C(=O)NCCCNC(=O)c2ccccc2OCCCC
InChi [?]:
InChI=1/C25H34N2O4/c1-3-5-18-30-22-14-9-7-12-20(22)24(28)26-16-11-17-27-25(29)21-13-8-10-15-23(21)31-19-6-4-2/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,31,2,30,3,29,9,23,8,24,16,10,22,7,25,15,17,4,28,11,21,6,26,12,19,14,18,13,20,5,27/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)/gE:(1,2)/rA:31nCCCCOCCCCCCCONCCCNCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s15;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34N2O4 |
All Atoms: | 65 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8633 |
Area: | 745.398 |
Solvation: | -6.77162 |
Coulombic: | -58.7984 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 426.549 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.53 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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