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Chemical ID: 4953911
Chemical ID:
4953911
Name [?]:
N-(2-ethylpent-4-enoyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILES [?]:
CCC(CC=C)C(=O)NC(=O)N1CCCc2c1cccc2
InChi [?]:
InChI=1/C17H22N2O2/c1-3-8-13(4-2)16(20)18-17(21)19-12-7-10-14-9-5-6-11-15(14)19/h3,5-6,9,11,13H,1,4,7-8,10,12H2,2H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:6,1,5,2,20,19,14,4,21,15,18,13,3,16,17,7,10,9,12,8,11/rA:21cCCCCCCCONCONCCCCCCCCC/rB:s1;s2;s3;s4;d5;s3;d7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.71643 |
Area: | 487.681 |
Solvation: | -3.47558 |
Coulombic: | -39.4894 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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