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Chemical ID: 4214406
Chemical ID:
4214406
Name [?]:
N-butyl-N'-(m-tolyl)oxamide
SMILES [?]:
CCCCNC(=O)C(=O)Nc1cccc(c1)C
InChi [?]:
InChI=1/C13H18N2O2/c1-3-4-8-14-12(16)13(17)15-11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,2,3,13,14,12,4,16,15,11,6,8,5,10,7,9/rA:17nCCCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.72088 |
Area: | 455.698 |
Solvation: | -1.67157 |
Coulombic: | -47.7504 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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