Chemical ID: 4567381

Cc1ccc(cc1)C(CC(=O)NCCc2ccccc2)c3ccc(cc3)OC(C)C
Chemical ID:
4567381
Name [?]:
3-(4-isopropoxyphenyl)-N-phenethyl-3-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)C(CC(=O)NCCc2ccccc2)c3ccc(cc3)OC(C)C
InChi [?]:
InChI=1/C27H31NO2/c1-20(2)30-25-15-13-24(14-16-25)26(23-11-9-21(3)10-12-23)19-27(29)28-18-17-22-7-5-4-6-8-22/h4-16,20,26H,17-19H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:29,30,1,18,17,19,16,20,3,7,4,6,22,26,23,25,14,13,9,28,2,15,5,21,24,8,10,12,11,27/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30cCCCCCCCCCCONCCCCCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s8;s21;d22;s23;d24;d21s25;s24;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31NO2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.0748
Area:679.912
Solvation:-3.92303
Coulombic:-31.6711
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.541
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.0
LogP (Chemaxon):6.0

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Descriptor Annotations

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