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Chemical ID: 5799659
Chemical ID:
5799659
Name [?]:
N-butyl-N'-cyclopropyl-oxamide
SMILES [?]:
CCCCNC(=O)C(=O)NC1CC1
InChi [?]:
InChI=1/C9H16N2O2/c1-2-3-6-10-8(12)9(13)11-7-4-5-7/h7H,2-6H2,1H3,(H,10,12)(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,13,4,11,6,8,5,10,7,9/E:(4,5)/rA:13nCCCCNCOCONCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s8;s10;s11;s11s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51485 |
Area: | 396.868 |
Solvation: | -1.40685 |
Coulombic: | -47.3616 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 184.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.79 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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