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Chemical ID: 5864874
Chemical ID:
5864874
Name [?]:
3,4-dimethoxy-N-[2-(3-methoxybenzoyl)aminoethyl]benzamide
SMILES [?]:
COc1cccc(c1)C(=O)NCCNC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H22N2O5/c1-24-15-6-4-5-13(11-15)18(22)20-9-10-21-19(23)14-7-8-16(25-2)17(12-14)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,6,4,18,19,12,13,8,22,7,17,3,20,21,9,15,11,14,10,16,2,25,23/rA:26nCOCCCCCCCONCCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5625 |
Area: | 607.222 |
Solvation: | -7.61806 |
Coulombic: | -64.2684 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 358.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.12 |
LogP (Chemaxon): | 0.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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