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Chemical ID: 6137645
Chemical ID:
6137645
Name [?]:
N'-(m-tolyl)-N-pentyl-oxamide
SMILES [?]:
CCCCCNC(=O)C(=O)Nc1cccc(c1)C
InChi [?]:
InChI=1/C14H20N2O2/c1-3-4-5-9-15-13(17)14(18)16-12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,18,2,3,4,14,15,13,5,17,16,12,7,9,6,11,8,10/rA:18nCCCCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3638 |
Area: | 480.855 |
Solvation: | -1.65754 |
Coulombic: | -48.0543 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 248.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.81 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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