Chemical ID: 4214406

CCCCNC(=O)C(=O)Nc1cccc(c1)C
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

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Descriptor Annotations

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