Chemical ID: 6473313

c1ccc(cc1)CCC(=O)NC(c2ccccc2)c3ccc(cc3)c4ccccc4
Chemical ID:
6473313
Name [?]:
3-phenyl-N-[phenyl-(4-phenylphenyl)-methyl]-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)NC(c2ccccc2)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C28H25NO/c30-27(21-16-22-10-4-1-5-11-22)29-28(25-14-8-3-9-15-25)26-19-17-24(18-20-26)23-12-6-2-7-13-23/h1-15,17-20,28H,16,21H2,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,28,16,2,6,27,29,15,17,3,5,26,30,14,18,7,21,23,20,24,8,4,25,22,13,19,9,12,11,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)(19,20)/rA:30cCCCCCCCCCONCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25NO
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.5688
Area:660.154
Solvation:-2.93509
Coulombic:-27.0338
Bond Count [?]
All:33
Single:20
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:391.504
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.63
LogP (Chemaxon):6.76

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue