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Chemical ID: 4150819
Chemical ID:
4150819
Name [?]:
2-ethoxyethyl 4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOCCOC(=O)c1ccc(cc1)NC(=O)COc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C23H29NO5/c1-5-27-12-13-28-23(26)18-7-9-19(10-8-18)24-22(25)15-29-21-14-17(4)6-11-20(21)16(2)3/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,2,23,10,14,11,13,24,4,5,21,18,26,22,9,12,25,20,16,7,15,17,8,3,6,19/E:(2,3)(7,8)(9,10)/rA:29nCCOCCOCOCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s26;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29NO5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6951 |
Area: | 687.995 |
Solvation: | -6.50476 |
Coulombic: | -56.3525 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 399.48 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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