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Chemical ID: 6354408
Chemical ID:
6354408
Name [?]:
N,N-dibenzylpropanamide
SMILES [?]:
CCC(=O)N(Cc1ccccc1)Cc2ccccc2
InChi [?]:
InChI=1/C17H19NO/c1-2-17(19)18(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,17,9,11,16,18,8,12,15,19,6,13,7,14,3,5,4/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)/rA:19nCCCONCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s5;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14909 |
Area: | 456.673 |
Solvation: | -2.26774 |
Coulombic: | -19.0668 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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