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Chemical ID: 6432467
Chemical ID:
6432467
Name [?]:
N-[(4-hexoxy-3-methoxy-phenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C(NC(=O)CCCC)NC(=O)CCCC
InChi [?]:
InChI=1/C24H40N2O4/c1-5-8-11-12-17-30-20-16-15-19(18-21(20)29-4)24(25-22(27)13-9-6-2)26-23(28)14-10-7-3/h15-16,18,24H,5-14,17H2,1-4H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,23,30,15,2,22,29,3,21,28,4,5,20,27,10,9,6,12,11,8,13,18,25,16,17,24,19,26,14,7/E:(2,3)(6,7)(9,10)(13,14)(22,23)(25,26)(27,28)/gE:(1,2)/rA:30nCCCCCCOCCCCCCOCCNCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;s21;s22;s16;s24;d25;s25;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H40N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0238 |
Area: | 752.312 |
Solvation: | -6.78404 |
Coulombic: | -56.3281 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 18 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 420.585 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.99 |
LogP (Chemaxon): | 4.7 |
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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