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Chemical ID: 4379657
Chemical ID:
4379657
Name [?]:
N'-isopentyl-N-(p-tolylmethyl)oxamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C15H22N2O2/c1-11(2)8-9-16-14(18)15(19)17-10-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:18,19,1,3,7,4,6,16,15,8,17,2,5,12,10,14,9,13,11/E:(1,2)(4,5)(6,7)/rA:19nCCCCCCCCNCOCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s12;s14;s15;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9871 |
Area: | 508.569 |
Solvation: | -1.72713 |
Coulombic: | -49.2191 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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