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Chemical ID: 4486667
Chemical ID:
4486667
Name [?]:
N-(4-diethylamino-2-methyl-phenyl)-4-methyl-benzamide
SMILES [?]:
CCN(CC)c1ccc(c(c1)C)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C19H24N2O/c1-5-21(6-2)17-11-12-18(15(4)13-17)20-19(22)16-9-7-14(3)8-10-16/h7-13H,5-6H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,22,12,2,4,18,20,17,21,7,8,11,19,10,16,6,9,14,13,3,15/E:(1,2)(5,6)(7,8)(9,10)/rA:22nCCNCCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s9;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0985 |
Area: | 526.125 |
Solvation: | -2.05466 |
Coulombic: | -29.28 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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