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Chemical ID: 4213696
Chemical ID:
4213696
Name [?]:
N'-benzyl-N-[(4-ethylphenyl)methyl]oxamide
SMILES [?]:
CCc1ccc(cc1)CNC(=O)C(=O)NCc2ccccc2
InChi [?]:
InChI=1/C18H20N2O2/c1-2-14-8-10-16(11-9-14)13-20-18(22)17(21)19-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,18,22,4,8,5,7,16,9,3,17,6,13,11,15,10,14,12/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCCCCCNCOCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7117 |
Area: | 547.005 |
Solvation: | -1.9634 |
Coulombic: | -50.3123 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 296.364 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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