Chemical ID: 4463071

CCc1cccc(c1NC(=O)COc2ccccc2C(=O)Nc3c(cc(cc3C)C)C)C
Chemical ID:
4463071
Name [?]:
2-[(2-ethyl-6-methyl-phenyl)carbamoylmethoxy]-N-(2,4,6-trimethylphenyl)-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)COc2ccccc2C(=O)Nc3c(cc(cc3C)C)C)C
InChi [?]:
InChI=1/C27H30N2O3/c1-6-21-11-9-10-18(3)26(21)28-24(30)16-32-23-13-8-7-12-22(23)27(31)29-25-19(4)14-17(2)15-20(25)5/h7-15H,6,16H2,1-5H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,30,32,29,31,2,17,16,5,6,4,18,15,27,25,12,26,7,28,24,3,19,14,10,23,8,20,9,22,11,21,13/E:(4,5)(14,15)(19,20)/rA:32nCCCCCCCCNCOCOCCCCCCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s26;s24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.4661
Area:673.474
Solvation:-6.37072
Coulombic:-48.716
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.539
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.45
LogP (Chemaxon):4.06

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