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Chemical ID: 4234686
Chemical ID:
4234686
Name [?]:
N-isopentyl-N'-isopropyl-oxamide
SMILES [?]:
CC(C)CCNC(=O)C(=O)NC(C)C
InChi [?]:
InChI=1/C10H20N2O2/c1-7(2)5-6-11-9(13)10(14)12-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,4,5,2,12,7,9,6,11,8,10/E:(1,2)(3,4)/rA:14nCCCCCNCOCONCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;d9;s9;s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13365 |
Area: | 419.514 |
Solvation: | -1.3542 |
Coulombic: | -47.9277 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 200.278 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.63 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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