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Chemical ID: 6519944
Chemical ID:
6519944
Name [?]:
3-methyl-N-[3-[methyl-(3-methylbenzoyl)-amino]propyl]benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCCCN(C)C(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C20H24N2O2/c1-15-7-4-9-17(13-15)19(23)21-11-6-12-22(3)20(24)18-10-5-8-16(2)14-18/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,15,4,20,12,3,21,5,19,11,13,7,23,2,22,6,18,8,16,10,14,9,17/rA:24nCCCCCCCCONCCCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;s14;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5516 |
Area: | 576.257 |
Solvation: | -2.85479 |
Coulombic: | -41.4775 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.02 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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