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Chemical ID: 4212972
Chemical ID:
4212972
Name [?]:
N'-cycloheptyl-N-(2-methoxyethyl)oxamide
SMILES [?]:
COCCNC(=O)C(=O)NC1CCCCCC1
InChi [?]:
InChI=1/C12H22N2O3/c1-17-9-8-13-11(15)12(16)14-10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,16,12,17,4,3,11,6,8,5,10,7,9,2/E:(2,3)(4,5)(6,7)/rA:17nCOCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s8;s10;s11;s12;s13;s14;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2576 |
Area: | 452.318 |
Solvation: | -3.05036 |
Coulombic: | -55.106 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.315 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.1 |
LogP (Chemaxon): | 0.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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