Chemical ID: 4563457

CCC(=O)N(CCC(c1ccc(cc1)C)c2ccc(cc2)OC(C)C)Cc3ccc(cc3)OC
Chemical ID:
4563457
Name [?]:
N-[3-(4-isopropoxyphenyl)-3-(p-tolyl)propyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccc(cc1)C)c2ccc(cc2)OC(C)C)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C30H37NO3/c1-6-30(32)31(21-24-9-15-27(33-5)16-10-24)20-19-29(25-11-7-23(4)8-12-25)26-13-17-28(18-14-26)34-22(2)3/h7-18,22,29H,6,19-21H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,25,15,34,2,11,13,28,32,10,14,17,21,29,31,18,20,7,6,26,23,12,27,9,16,30,19,8,3,5,4,33,22/E:(2,3)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:34cCCCONCCCCCCCCCCCCCCCCOCCCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s8;s16;d17;s18;d19;d16s20;s19;s22;s23;s23;s5;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H37NO3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.3039
Area:741.262
Solvation:-5.22763
Coulombic:-33.9903
Bond Count [?]
All:36
Single:26
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:459.62
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.68
LogP (Chemaxon):6.55

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