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Chemical ID: 7020113
Chemical ID:
7020113
Name [?]:
N-[(4-butoxyphenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1ccc(cc1)OCCCC)NC(=O)CCCC
InChi [?]:
InChI=1/C21H34N2O3/c1-4-7-10-19(24)22-21(23-20(25)11-8-5-2)17-12-14-18(15-13-17)26-16-9-6-3/h12-15,21H,4-11,16H2,1-3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,19,2,25,18,3,24,17,4,23,10,14,11,13,16,9,12,5,21,8,7,20,6,22,15/E:(1,2)(4,5)(7,8)(10,11)(12,13)(14,15)(19,20)(22,23)(24,25)/gE:(1,2)/rA:26nCCCCCONCCCCCCCOCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;s8;s20;d21;s21;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H34N2O3 |
All Atoms: | 60 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9846 |
Area: | 665.85 |
Solvation: | -4.66164 |
Coulombic: | -49.6155 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 362.506 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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