ChemDB: Chemical Search
Download
Chemical ID: 5892945
Chemical ID:
5892945
Name [?]:
5-(2,2-dimethylpropanoylamino)-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCC3
InChi [?]:
InChI=1/C21H31N3O3/c1-21(2,3)20(26)23-15-8-9-18(24-10-4-5-11-24)17(13-15)19(25)22-14-16-7-6-12-27-16/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,26,20,19,9,10,24,27,21,13,17,8,18,12,11,14,5,2,16,7,23,15,6,22/E:(1,2,3)(4,5)(10,11)/rA:27cCCCCCONCCCCCCCONCCCCCONCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;s18;s19;s20;s18s21;s11;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H31N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3291 |
Area: | 610.944 |
Solvation: | -4.94446 |
Coulombic: | -55.143 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 373.489 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.5 |
LogP (Chemaxon): | 2.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|