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Chemical ID: 5372970
Chemical ID:
5372970
Name [?]:
N-[benzamido-(3-methoxy-4-pentoxy-phenyl)-methyl]benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C27H30N2O4/c1-3-4-11-18-33-23-17-16-22(19-24(23)32-2)25(28-26(30)20-12-7-5-8-13-20)29-27(31)21-14-9-6-10-15-21/h5-10,12-17,19,25H,3-4,11,18H2,1-2H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,22,31,21,23,30,32,4,20,24,29,33,9,8,5,11,19,28,10,7,12,15,17,26,16,25,18,27,13,6/E:(5,6)(7,8,9,10)(12,13,14,15)(20,21)(26,27)(28,29)(30,31)/gE:(1,2)/rA:33nCCCCCOCCCCCCOCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s15;s25;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7973 |
Area: | 735.329 |
Solvation: | -6.58595 |
Coulombic: | -61.3166 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 446.538 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.07 |
LogP (Chemaxon): | 4.92 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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