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Chemical ID: 4110960
Chemical ID:
4110960
Name [?]:
N-benzyl-N'-(2-cyclohexylethyl)oxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C(=O)NCCC2CCCCC2
InChi [?]:
InChI=1/C17H24N2O2/c20-16(18-12-11-14-7-3-1-4-8-14)17(21)19-13-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:19,1,18,20,2,6,17,21,3,5,15,14,7,16,4,11,9,13,8,12,10/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCNCOCONCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5691 |
Area: | 530.495 |
Solvation: | -1.69323 |
Coulombic: | -49.9316 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 288.385 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.83 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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