Chemical ID: 4567377

CC(C)Oc1ccc(cc1)C(CC(=O)NCCc2ccccc2)c3ccccc3OC
Chemical ID:
4567377
Name [?]:
3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)-N-phenethyl-propanamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CC(=O)NCCc2ccccc2)c3ccccc3OC
InChi [?]:
InChI=1/C27H31NO3/c1-20(2)31-23-15-13-22(14-16-23)25(24-11-7-8-12-26(24)30-3)19-27(29)28-18-17-21-9-5-4-6-10-21/h4-16,20,25H,17-19H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,3,31,21,20,22,26,27,19,23,25,28,7,9,6,10,17,16,12,2,18,8,5,24,11,29,13,15,14,30,4/E:(1,2)(5,6)(9,10)(13,14)(15,16)/rA:31cCCCOCCCCCCCCCONCCCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s11;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31NO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.8609
Area:687.841
Solvation:-5.33513
Coulombic:-38.0494
Bond Count [?]
All:33
Single:23
Double:10
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.54
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.48
LogP (Chemaxon):5.28

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