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Chemical ID: 7038909
Chemical ID:
7038909
Name [?]:
[4-[bis(2,2-dimethylpropanoylamino)methyl]-2-methoxy-phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C20H30N2O5/c1-12(23)27-14-10-9-13(11-15(14)26-8)16(21-17(24)19(2,3)4)22-18(25)20(5,6)7/h9-11,16H,1-8H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,25,26,27,12,7,6,9,2,8,5,10,13,15,22,17,24,14,21,3,16,23,11,4/E:(2,3,4,5,6,7)(17,18)(19,20)(21,22)(24,25)/gE:(1,2)/rA:27nCCOOCCCCCCOCCNCOCCCCNCOCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;d15;s15;s17;s17;s17;s13;s21;d22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30N2O5 |
All Atoms: | 57 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37711 |
Area: | 600.63 |
Solvation: | -5.63864 |
Coulombic: | -66.5628 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 378.463 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.09 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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