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Chemical ID: 4211730
Chemical ID:
4211730
Name [?]:
N'-cycloheptyl-N-(3-methoxypropyl)oxamide
SMILES [?]:
COCCCNC(=O)C(=O)NC1CCCCCC1
InChi [?]:
InChI=1/C13H24N2O3/c1-18-10-6-9-14-12(16)13(17)15-11-7-4-2-3-5-8-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,4,13,18,5,3,12,7,9,6,11,8,10,2/E:(2,3)(4,5)(7,8)/rA:18nCOCCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s9;s11;s12;s13;s14;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94387 |
Area: | 481.899 |
Solvation: | -3.10361 |
Coulombic: | -55.2139 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 256.341 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.46 |
LogP (Chemaxon): | 0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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