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Chemical ID: 6502806
Chemical ID:
6502806
Name [?]:
N'-(4-phenylbutyl)-N-(1-phenylethyl)oxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)C(=O)NCCCCc2ccccc2
InChi [?]:
InChI=1/C20H24N2O2/c1-16(18-13-6-3-7-14-18)22-20(24)19(23)21-15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14,16H,8-9,12,15H2,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,22,6,21,23,5,7,17,16,20,24,18,4,8,15,2,19,3,12,10,14,9,13,11/E:(4,5)(6,7)(10,11)(13,14)/rA:24cCCCCCCCCNCOCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;d12;s12;s14;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7275 |
Area: | 593.225 |
Solvation: | -2.10308 |
Coulombic: | -50.9575 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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