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Chemical ID: 7020219
Chemical ID:
7020219
Name [?]:
N-[2,2-dimethylpropanoylamino-(4-isopentyloxyphenyl)-methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C22H36N2O3/c1-15(2)13-14-27-17-11-9-16(10-12-17)18(23-19(25)21(3,4)5)24-20(26)22(6,7)8/h9-12,15,18H,13-14H2,1-8H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,20,25,26,27,9,11,8,12,4,5,2,10,7,13,15,22,17,24,14,21,16,23,6/E:(1,2)(3,4,5,6,7,8)(9,10)(11,12)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:27nCCCCCOCCCCCCCNCOCCCCNCOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s17;s17;s13;s21;d22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H36N2O3 |
All Atoms: | 63 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.59 |
Area: | 637.998 |
Solvation: | -4.35996 |
Coulombic: | -51.061 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 376.533 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.43 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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