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Chemical ID: 4441221
Chemical ID:
4441221
Name [?]:
N-(3,5-dimethoxyphenyl)-3,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)Nc2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C17H19NO3/c1-11-5-6-13(7-12(11)2)17(19)18-14-8-15(20-3)10-16(9-14)21-4/h5-10H,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,19,21,3,4,6,17,13,15,2,7,5,12,16,14,9,11,10,18,20/E:(3,4)(8,9)(15,16)(20,21)/rA:21nCCCCCCCCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s14;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93168 |
Area: | 492.441 |
Solvation: | -4.37935 |
Coulombic: | -35.756 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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