Chemical ID: 6970133

CCOC(=O)c1ccc(cc1)NC(=O)COc2cc(ccc2C(C)C)C
Chemical ID:
6970133
Name [?]:
ethyl 4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C21H25NO4/c1-5-25-21(24)16-7-9-17(10-8-16)22-20(23)13-26-19-12-15(4)6-11-18(19)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,2,20,7,11,8,10,21,18,15,23,19,6,9,22,17,13,4,12,14,5,3,16/E:(2,3)(7,8)(9,10)/rA:26nCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO4
All Atoms:51
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6854
Area:613.284
Solvation:-4.64671
Coulombic:-49.0812
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:355.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):4.43

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