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Chemical ID: 6017029
Chemical ID:
6017029
Name [?]:
N-(3-ethoxypropyl)-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]pentanamide
SMILES [?]:
CCCCC(=O)N(CCCOCC)CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2
InChi [?]:
InChI=1/C24H33FN2O4/c1-3-5-9-23(28)26(14-7-15-30-4-2)19-24(29)27(18-22-8-6-16-31-22)17-20-10-12-21(25)13-11-20/h6,8,10-13,16H,3-5,7,9,14-15,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,12,3,29,9,28,4,20,24,21,23,8,10,30,18,26,14,19,22,27,5,15,25,7,17,6,16,11,31/E:(10,11)(12,13)/rA:31nCCCCCONCCCOCCCCONCCCCCCCFCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s7;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33FN2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8689 |
Area: | 701.348 |
Solvation: | -6.66482 |
Coulombic: | -51.2362 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 432.528 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.92 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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