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Chemical ID: 4213971
Chemical ID:
4213971
Name [?]:
N'-benzyl-N-propyl-oxamide
SMILES [?]:
CCCNC(=O)C(=O)NCc1ccccc1
InChi [?]:
InChI=1/C12H16N2O2/c1-2-8-13-11(15)12(16)14-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,16,3,10,11,5,7,4,9,6,8/E:(4,5)(6,7)/rA:16nCCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27717 |
Area: | 440.336 |
Solvation: | -1.73123 |
Coulombic: | -48.8955 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 220.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.38 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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