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Chemical ID: 6137627
Chemical ID:
6137627
Name [?]:
N-(3,5-dimethylphenyl)-N'-isopentyl-oxamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)C(=O)NCCC(C)C)C
InChi [?]:
InChI=1/C15H22N2O2/c1-10(2)5-6-16-14(18)15(19)17-13-8-11(3)7-12(4)9-13/h7-10H,5-6H2,1-4H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:17,18,1,19,15,14,3,7,5,16,2,4,6,11,9,13,8,12,10/E:(1,2)(3,4)(8,9)(11,12)/rA:19nCCCCCCCNCOCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;s14;s15;s16;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.773 |
Area: | 495.461 |
Solvation: | -1.61352 |
Coulombic: | -47.8276 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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