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Chemical ID: 6524774
Chemical ID:
6524774
Name [?]:
N-(3-diethylaminopropyl)-3-oxo-butanamide
SMILES [?]:
CCN(CC)CCCNC(=O)CC(=O)C
InChi [?]:
InChI=1/C11H22N2O2/c1-4-13(5-2)8-6-7-12-11(15)9-10(3)14/h4-9H2,1-3H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,5,15,2,4,7,8,6,12,13,10,9,3,14,11/E:(1,2)(4,5)/rA:15nCCNCCCCCNCOCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.44299 |
Area: | 444.023 |
Solvation: | -4.6576 |
Coulombic: | -28.6268 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 214.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.81 |
LogP (Chemaxon): | 0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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