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Chemical ID: 7270669
Chemical ID:
7270669
Name [?]:
N-benzyl-2-[(2-methoxy-1-methyl-ethyl)carbamoylmethoxy]benzamide
SMILES [?]:
CC(COC)NC(=O)COc1ccccc1C(=O)NCc2ccccc2
InChi [?]:
InChI=1/C20H24N2O4/c1-15(13-25-2)22-19(23)14-26-18-11-7-6-10-17(18)20(24)21-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,24,23,25,14,13,22,26,15,12,20,3,9,2,21,16,11,7,17,19,6,8,18,4,10/E:(4,5)(8,9)/rA:26cCCCOCNCOCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4 |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.18169 |
Area: | 610.909 |
Solvation: | -7.09104 |
Coulombic: | -58.2325 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 356.416 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.49 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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