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Chemical ID: 5077918
Chemical ID:
5077918
Name [?]:
N-(1,1,4-trimethyl-4-prop-2-enoylamino-pentyl)prop-2-enamide
SMILES [?]:
CC(C)(CCC(C)(C)NC(=O)C=C)NC(=O)C=C
InChi [?]:
InChI=1/C14H24N2O2/c1-7-11(17)15-13(3,4)9-10-14(5,6)16-12(18)8-2/h7-8H,1-2,9-10H2,3-6H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:13,18,7,8,1,3,12,17,5,4,10,15,6,2,9,14,11,16/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/gE:(1,2)/rA:18nCCCCCCCCNCOCCNCOCC/rB:s1;s2;s2;s4;s5;s6;s6;s6;s9;d10;s10;d12;s2;s14;d15;s15;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32815 |
Area: | 473.786 |
Solvation: | -2.51651 |
Coulombic: | -44.7085 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 252.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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