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Chemical ID: 6032077
Chemical ID:
6032077
Name [?]:
N-butyl-N-[2-[(4-methyl-1-piperidyl)carbonyl]ethyl]furan-3-carboxamide
SMILES [?]:
CCCCN(CCC(=O)N1CCC(CC1)C)C(=O)c2ccoc2
InChi [?]:
InChI=1/C18H28N2O3/c1-3-4-9-20(18(22)16-8-13-23-14-16)12-7-17(21)19-10-5-15(2)6-11-19/h8,13-15H,3-7,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,3,12,14,7,20,4,11,15,6,21,23,13,19,8,17,10,5,9,18,22/E:(5,6)(10,11)/rA:23nCCCCNCCCONCCCCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s5;d17;s17;s19;d20;s21;d19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3406 |
Area: | 553.952 |
Solvation: | -3.50822 |
Coulombic: | -39.4862 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 320.427 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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