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Chemical ID: 4144516
Chemical ID:
4144516
Name [?]:
N-(2,6-diisopropylphenyl)-2-(2-methoxyphenoxy)-acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)COc2ccccc2OC)C(C)C
InChi [?]:
InChI=1/C21H27NO3/c1-14(2)16-9-8-10-17(15(3)4)21(16)22-20(23)13-25-19-12-7-6-11-18(19)24-5/h6-12,14-15H,13H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,22,18,17,6,5,7,19,16,13,2,23,4,8,20,15,11,9,10,12,21,14/E:(1,2,3,4)(9,10)(14,15)(16,17)/rA:25nCCCCCCCCCNCOCOCCCCCCOCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s8;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92823 |
Area: | 570.881 |
Solvation: | -6.3438 |
Coulombic: | -36.3359 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.71 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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