ChemDB: Chemical Search
Download
Chemical ID: 7306060
Chemical ID:
7306060
Name [?]:
N-[2-phenyl-1-(3-phenylpropylcarbamoyl)ethyl]benzamide
SMILES [?]:
c1ccc(cc1)CCCNC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C25H26N2O2/c28-24(22-16-8-3-9-17-22)27-23(19-21-13-6-2-7-14-21)25(29)26-18-10-15-20-11-4-1-5-12-20/h1-9,11-14,16-17,23H,10,15,18-19H2,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,18,27,2,6,17,19,26,28,8,3,5,16,20,7,25,29,9,14,4,15,24,13,22,11,10,21,23,12/E:(4,5)(6,7)(8,9)(11,12)(13,14)(16,17)/rA:29cCCCCCCCCCNCOCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O2 |
All Atoms: | 55 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9008 |
Area: | 641.403 |
Solvation: | -3.13425 |
Coulombic: | -47.8173 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 386.486 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.52 |
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 |
---|