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Chemical ID: 4258746
Chemical ID:
4258746
Name [?]:
N,N-dibutyl-3-oxo-butanamide
SMILES [?]:
CCCCN(CCCC)C(=O)CC(=O)C
InChi [?]:
InChI=1/C12H23NO2/c1-4-6-8-13(9-7-5-2)12(15)10-11(3)14/h4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,15,2,8,3,7,4,6,12,13,10,5,14,11/E:(1,2)(4,5)(6,7)(8,9)/rA:15nCCCCNCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90911 |
Area: | 442.375 |
Solvation: | -4.15027 |
Coulombic: | -20.5824 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 213.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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