Chemical ID: 5873721

CCC(c1ccccc1)C(=O)NC(C)C(=O)NCCC(c2ccccc2)c3ccccc3
Chemical ID:
5873721
Name [?]:
N-[1-(3,3-diphenylpropylcarbamoyl)ethyl]-2-phenyl-butanamide
SMILES [?]:
CCC(c1ccccc1)C(=O)NC(C)C(=O)NCCC(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C28H32N2O2/c1-3-25(22-13-7-4-8-14-22)28(32)30-21(2)27(31)29-20-19-26(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21,25-26H,3,19-20H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,14,2,7,24,30,6,8,23,25,29,31,5,9,22,26,28,32,19,18,13,4,21,27,3,20,15,10,17,12,16,11/E:(5,6)(7,8)(9,10,11,12)(13,14)(15,16,17,18)(23,24)/rA:32cCCCCCCCCCCONCCCONCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s13;d15;s15;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s20;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N2O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:14.3792
Area:716.849
Solvation:-3.54197
Coulombic:-47.6823
Bond Count [?]
All:34
Single:23
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:428.566
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.44
LogP (Chemaxon):5.45

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