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Chemical ID: 7020133
Chemical ID:
7020133
Name [?]:
N-[(4-isopentyloxyphenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1ccc(cc1)OCCC(C)C)NC(=O)CCCC
InChi [?]:
InChI=1/C22H36N2O3/c1-5-7-9-20(25)23-22(24-21(26)10-8-6-2)18-11-13-19(14-12-18)27-16-15-17(3)4/h11-14,17,22H,5-10,15-16H2,1-4H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,19,20,2,26,3,25,4,24,10,14,11,13,17,16,18,9,12,5,22,8,7,21,6,23,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(20,21)(23,24)(25,26)/gE:(1,2)/rA:27nCCCCCONCCCCCCCOCCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;s18;s8;s21;d22;s22;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H36N2O3 |
All Atoms: | 63 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4766 |
Area: | 683.866 |
Solvation: | -4.62011 |
Coulombic: | -49.8953 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 376.533 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.72 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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