ChemDB: Chemical Search
Download
Chemical ID: 5894293
Chemical ID:
5894293
Name [?]:
5-(butylcarbamoylamino)-N-cyclopropyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCCCNC(=O)Nc1ccc(c(c1)C(=O)NC2CC2)N3CCCC3
InChi [?]:
InChI=1/C19H28N4O2/c1-2-3-10-20-19(25)22-15-8-9-17(23-11-4-5-12-23)16(13-15)18(24)21-14-6-7-14/h8-9,13-14H,2-7,10-12H2,1H3,(H,21,24)(H2,20,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,23,24,19,20,10,11,4,22,25,14,18,9,13,12,15,6,5,17,8,21,16,7/E:(4,5)(6,7)(11,12)/rA:25nCCCCNCONCCCCCCCONCCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s18s19;s12;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N4O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2667 |
Area: | 595.684 |
Solvation: | -3.62536 |
Coulombic: | -61.3711 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 344.451 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.44 |
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 |
---|