ChemDB: Chemical Search
Download
Chemical ID: 5293338
Chemical ID:
5293338
Name [?]:
methyl 2-[(3-acetylphenyl)carbamoylamino]-3-methyl-pentanoate
SMILES [?]:
CCC(C)C(C(=O)OC)NC(=O)Nc1cccc(c1)C(=O)C
InChi [?]:
InChI=1/C16H22N2O4/c1-5-10(2)14(15(20)22-4)18-16(21)17-13-8-6-7-12(9-13)11(3)19/h6-10,14H,5H2,1-4H3,(H2,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,4,22,9,2,16,17,15,19,3,20,18,14,5,6,11,13,10,21,7,12,8/rA:22cCCCCCCOOCNCONCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.48941 |
Area: | 527.354 |
Solvation: | -3.69443 |
Coulombic: | -61.6835 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 306.357 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.03 |
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 |
---|