Chemical ID: 4146061

CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(c(c2)C)C
Chemical ID:
4146061
Name [?]:
butyl 4-[2-(3,4-dimethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C21H25NO4/c1-4-5-12-25-21(24)17-7-9-18(10-8-17)22-20(23)14-26-19-11-6-15(2)16(3)13-19/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,25,2,3,21,9,13,10,12,20,4,24,17,22,23,8,11,19,15,6,14,16,7,5,18/E:(7,8)(9,10)/rA:26nCCCCOCOCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9395
Area:624.978
Solvation:-4.68491
Coulombic:-48.974
Bond Count [?]
All:27
Single:19
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:355.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.84
LogP (Chemaxon):4.57

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Descriptor Annotations

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