Chemical ID: 7038833

CC(C)CC(=O)NC(c1cc(c(c(c1)OC)OC)OC)NC(=O)CC(C)C
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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Descriptor Annotations

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