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Chemical ID: 7037960
Chemical ID:
7037960
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1ccc(c(c1)OCC)OC)NC(=O)CCCC
InChi [?]:
InChI=1/C20H32N2O4/c1-5-8-10-18(23)21-20(22-19(24)11-9-6-2)15-12-13-16(25-4)17(14-15)26-7-3/h12-14,20H,5-11H2,1-4H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,17,19,2,25,16,3,24,4,23,10,11,14,9,12,13,5,21,8,7,20,6,22,18,15/E:(1,2)(5,6)(8,9)(10,11)(18,19)(21,22)(23,24)/gE:(1,2)/rA:26nCCCCCONCCCCCCCOCCOCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12;s18;s8;s20;d21;s21;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N2O4 |
All Atoms: | 58 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29827 |
Area: | 643.84 |
Solvation: | -6.79772 |
Coulombic: | -54.9254 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 364.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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