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Chemical ID: 5901179
Chemical ID:
5901179
Name [?]:
N-(m-tolylcarbamoylmethyl)butanamide
SMILES [?]:
CCCC(=O)NCC(=O)Nc1cccc(c1)C
InChi [?]:
InChI=1/C13H18N2O2/c1-3-5-12(16)14-9-13(17)15-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,2,13,3,14,12,16,7,15,11,4,8,6,10,5,9/rA:17nCCCCONCCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;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: | 8.59302 |
Area: | 452.934 |
Solvation: | -2.73032 |
Coulombic: | -41.3769 |
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: | 1.71 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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