Chemical ID: 4487949

Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C(=O)OC
Chemical ID:
4487949
Name [?]:
methyl 2-methyl-3-(4-tert-butylbenzoyl)amino-benzoate
SMILES [?]:
Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C(=O)OC
InChi [?]:
InChI=1/C20H23NO3/c1-13-16(19(23)24-5)7-6-8-17(13)21-18(22)14-9-11-15(12-10-14)20(2,3)4/h6-12H,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,24,5,4,6,12,16,13,15,2,11,14,3,7,9,21,17,8,10,22,23/E:(2,3,4)(9,10)(11,12)/rA:24nCCCCCCCNCOCCCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s3;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.3086
Area:547.016
Solvation:-2.36677
Coulombic:-43.7162
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:325.402
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.97
LogP (Chemaxon):4.09

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