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Chemical ID: 7038833
Chemical ID:
7038833
Name [?]:
3-methyl-N-[3-methylbutanoylamino-(3,4,5-trimethoxyphenyl)-methyl]-butanamide
SMILES [?]:
CC(C)CC(=O)NC(c1cc(c(c(c1)OC)OC)OC)NC(=O)CC(C)C
InChi [?]:
InChI=1/C20H32N2O5/c1-12(2)8-17(23)21-20(22-18(24)9-13(3)4)14-10-15(25-5)19(27-7)16(11-14)26-6/h10-13,20H,8-9H2,1-7H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,26,27,16,20,18,4,24,14,10,2,25,9,13,11,5,22,12,8,7,21,6,23,15,19,17/E:(1,2,3,4)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18)(21,22)(23,24)(25,26)/gE:(1,2)/rA:27nCCCCCONCCCCCCCOCOCOCNCOCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s11;s19;s8;s21;d22;s22;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N2O5 |
All Atoms: | 59 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60605 |
Area: | 622.427 |
Solvation: | -7.95463 |
Coulombic: | -61.7776 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 380.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.16 |
LogP (Chemaxon): | 2.32 |
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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