ChemDB: Chemical Search
Download
Chemical ID: 5254578
Chemical ID:
5254578
Name [?]:
ethyl 2-[(1-ethoxycarbonyl-3-methyl-butyl)carbamoylamino]-4-methyl-pentanoate
SMILES [?]:
CCOC(=O)C(CC(C)C)NC(=O)NC(CC(C)C)C(=O)OCC
InChi [?]:
InChI=1/C17H32N2O5/c1-7-23-15(20)13(9-11(3)4)18-17(22)19-14(10-12(5)6)16(21)24-8-2/h11-14H,7-10H2,1-6H3,(H2,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,24,9,10,18,19,2,23,7,16,8,17,6,15,4,20,12,11,14,5,21,13,3,22/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(23,24)/rA:24cCCOCOCCCCCNCONCCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;s6;s11;d12;s12;s14;s15;s16;s17;s17;s15;d20;s20;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H32N2O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.6983 |
Area: | 600.029 |
Solvation: | -3.30239 |
Coulombic: | -74.5126 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 344.446 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.52 |
LogP (Chemaxon): | 2.49 |
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 |
---|