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Chemical ID: 6669067
Chemical ID:
6669067
Name [?]:
N-(2,6-diisopropylphenyl)-3-methoxy-benzamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)c2cccc(c2)OC)C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-13(2)17-10-7-11-18(14(3)4)19(17)21-20(22)15-8-6-9-16(12-15)23-5/h6-14H,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,20,15,6,14,16,5,7,18,2,21,13,17,4,8,9,11,10,12,19/E:(1,2,3,4)(10,11)(13,14)(17,18)/rA:23nCCCCCCCCCNCOCCCCCCOCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s8;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0055 |
Area: | 527.911 |
Solvation: | -3.19229 |
Coulombic: | -30.8618 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.3 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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