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Chemical ID: 5873117
Chemical ID:
5873117
Name [?]:
3-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-dimethylaminophenyl)methyl]propanamide
SMILES [?]:
CN(C)c1ccc(cc1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C27H38N2O3/c1-28(2)24-13-9-23(10-14-24)20-29(27(30)16-12-21-7-5-6-8-21)18-17-22-11-15-25(31-3)26(19-22)32-4/h9-11,13-15,19,21H,5-8,12,16-18,20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,23,21,30,31,29,32,6,8,15,27,5,9,16,26,13,12,19,10,28,14,7,4,17,18,24,2,11,25,22,20/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:32nCNCCCCCCCCNCCCCCCCCOCOCCOCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s11;d24;s24;s26;s27;s28;s29;s30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H38N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7717 |
Area: | 725.502 |
Solvation: | -6.36585 |
Coulombic: | -37.9471 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 438.602 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.9 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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