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Chemical ID: 5783349
Chemical ID:
5783349
Name [?]:
N'-isopentyl-N-(o-tolyl)oxamide
SMILES [?]:
Cc1ccccc1NC(=O)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C14H20N2O2/c1-10(2)8-9-15-13(17)14(18)16-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:17,18,1,4,5,3,6,15,14,16,2,7,11,9,13,8,12,10/E:(1,2)/rA:18nCCCCCCCNCOCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1878 |
Area: | 469.833 |
Solvation: | -1.55799 |
Coulombic: | -48.1944 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 248.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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