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Chemical ID: 3991328
Chemical ID:
3991328
Name [?]:
N,N'-dibenzyl-N,N'-dimethyl-propanediamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)CC(=O)N(C)Cc2ccccc2
InChi [?]:
InChI=1/C19H22N2O2/c1-20(14-16-9-5-3-6-10-16)18(22)13-19(23)21(2)15-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,7,21,6,8,20,22,5,9,19,23,12,3,17,4,18,10,13,2,15,11,14/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(14,15)(16,17)(18,19)(20,21)(22,23)/rA:23nCNCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;d13;s13;s15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68228 |
Area: | 530.808 |
Solvation: | -4.58791 |
Coulombic: | -31.9908 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 310.39 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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