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Chemical ID: 5553412
Chemical ID:
5553412
Name [?]:
3-(benzyl-methyl-amino)-N-phenyl-propanamide
SMILES [?]:
CN(CCC(=O)Nc1ccccc1)Cc2ccccc2
InChi [?]:
InChI=1/C17H20N2O/c1-19(14-15-8-4-2-5-9-15)13-12-17(20)18-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,18,11,17,19,10,12,16,20,9,13,4,3,14,15,8,5,7,2,6/E:(4,5)(6,7)(8,9)(10,11)/rA:20cCNCCCONCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s2;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.75827 |
Area: | 492.079 |
Solvation: | -2.5437 |
Coulombic: | -27.2365 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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