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Chemical ID: 4146061
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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