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Chemical ID: 4213501
Chemical ID:
4213501
Name [?]:
N'-cycloheptyl-N-(1-phenylethyl)oxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)C(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C17H24N2O2/c1-13(14-9-5-4-6-10-14)18-16(20)17(21)19-15-11-7-2-3-8-12-15/h4-6,9-10,13,15H,2-3,7-8,11-12H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,6,5,7,17,20,4,8,16,21,2,3,15,10,12,9,14,11,13/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:21cCCCCCCCCNCOCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;d12;s12;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0529 |
Area: | 507.352 |
Solvation: | -1.63091 |
Coulombic: | -49.8391 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 288.385 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.53 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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