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Chemical ID: 6320731
Chemical ID:
6320731
Name [?]:
N-(4-diethylaminophenyl)-3,4-dimethyl-benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)NC(=O)c2ccc(c(c2)C)C
InChi [?]:
InChI=1/C19H24N2O/c1-5-21(6-2)18-11-9-17(10-12-18)20-19(22)16-8-7-14(3)15(4)13-16/h7-13H,5-6H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,22,21,2,4,17,16,8,10,7,11,20,18,19,15,9,6,13,12,3,14/E:(1,2)(5,6)(9,10)(11,12)/rA:22nCCNCCCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0357 |
Area: | 526.079 |
Solvation: | -2.11626 |
Coulombic: | -29.0954 |
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: | 4.92 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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