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Chemical ID: 6908175
Chemical ID:
6908175
Name [?]:
(2,6-diethylphenyl)carbamoylmethyl 4-methoxybenzoate
SMILES [?]:
CCc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)OC)CC
InChi [?]:
InChI=1/C20H23NO4/c1-4-14-7-6-8-15(5-2)19(14)21-18(22)13-25-20(23)16-9-11-17(24-3)12-10-16/h6-12H,4-5,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,2,24,5,4,6,17,21,18,20,12,3,7,16,19,10,8,14,9,11,15,22,13/E:(1,2)(4,5)(7,8)(9,10)(11,12)(14,15)/rA:25nCCCCCCCCNCOCOCOCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s7;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO4 |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84502 |
Area: | 577.782 |
Solvation: | -4.59954 |
Coulombic: | -48.7026 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 341.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.99 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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