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Chemical ID: 7038834
Chemical ID:
7038834
Name [?]:
N-[pentanoylamino-(3,4,5-trimethoxyphenyl)-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1cc(c(c(c1)OC)OC)OC)NC(=O)CCCC
InChi [?]:
InChI=1/C20H32N2O5/c1-6-8-10-17(23)21-20(22-18(24)11-9-7-2)14-12-15(25-3)19(27-5)16(13-14)26-4/h12-13,20H,6-11H2,1-5H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,16,20,18,2,26,3,25,4,24,14,10,9,13,11,5,22,12,8,7,21,6,23,15,19,17/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(15,16)(17,18)(21,22)(23,24)(25,26)/gE:(1,2)/rA:27nCCCCCONCCCCCCCOCOCOCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s11;s19;s8;s21;d22;s22;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N2O5 |
All Atoms: | 59 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.11019 |
Area: | 646.548 |
Solvation: | -8.05351 |
Coulombic: | -61.7605 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 380.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.29 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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