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Chemical ID: 6050015
Chemical ID:
6050015
Name [?]:
N-propyl-N-[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]ethyl]furan-3-carboxamide
SMILES [?]:
CCCN(CCC(=O)N1CC2(CC1CC(C2)(C)C)C)C(=O)c3ccoc3
InChi [?]:
InChI=1/C21H32N2O3/c1-5-8-22(19(25)16-7-10-26-13-16)9-6-18(24)23-15-21(4)12-17(23)11-20(2,3)14-21/h7,10,13,17H,5-6,8-9,11-12,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,2,6,23,3,5,24,14,12,26,16,10,22,13,7,20,15,11,4,9,8,21,25/E:(2,3)/rA:26cCCCNCCCONCCCCCCCCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;s14;s11s15;s15;s15;s11;s4;d20;s20;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H32N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.7841 |
Area: | 576.089 |
Solvation: | -3.61812 |
Coulombic: | -39.8328 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 360.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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