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Chemical ID: 5909121
Chemical ID:
5909121
Name [?]:
N-(2-furylmethyl)-N-phenethyl-2-[(2-phenylacetyl)-propyl-amino]-acetamide
SMILES [?]:
CCCN(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)Cc3ccccc3
InChi [?]:
InChI=1/C26H30N2O3/c1-2-16-27(25(29)19-23-12-7-4-8-13-23)21-26(30)28(20-24-14-9-18-31-24)17-15-22-10-5-3-6-11-22/h3-14,18H,2,15-17,19-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,29,13,15,28,30,20,12,16,27,31,19,10,3,9,21,25,17,5,11,26,18,23,6,4,8,24,7,22/E:(5,6)(7,8)(10,11)(12,13)/rA:31nCCCNCCONCCCCCCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5518 |
Area: | 695.782 |
Solvation: | -4.84277 |
Coulombic: | -42.0802 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 418.528 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.75 |
LogP (Chemaxon): | 4.04 |
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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