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Chemical ID: 5909013
Chemical ID:
5909013
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C25H28N2O3/c1-20(2)27(25(29)22-12-7-4-8-13-22)19-24(28)26(18-23-14-9-17-30-23)16-15-21-10-5-3-6-11-21/h3-14,17,20H,15-16,18-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,28,13,15,27,29,20,12,16,26,30,19,10,9,21,17,5,2,11,25,18,6,23,8,4,7,24,22/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6021 |
Area: | 629.029 |
Solvation: | -4.12367 |
Coulombic: | -43.7154 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 404.501 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.04 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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