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Chemical ID: 5765738
Chemical ID:
5765738
Name [?]:
2-acetamido-N-benzyl-3-phenyl-propanamide
SMILES [?]:
CC(=O)NC(Cc1ccccc1)C(=O)NCc2ccccc2
InChi [?]:
InChI=1/C18H20N2O2/c1-14(21)20-17(12-15-8-4-2-5-9-15)18(22)19-13-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,20,9,11,19,21,8,12,18,22,6,16,2,7,17,5,13,15,4,3,14/E:(4,5)(6,7)(8,9)(10,11)/rA:22cCCONCCCCCCCCCONCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.09997 |
Area: | 514.693 |
Solvation: | -3.76735 |
Coulombic: | -42.8826 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 296.364 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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