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Chemical ID: 5874435
Chemical ID:
5874435
Name [?]:
N-[(4-benzyloxyphenyl)methyl]-N-(4-diethylamino-1-methyl-butyl)-cyclopentanecarboxamide
SMILES [?]:
CCN(CC)CCCC(C)N(Cc1ccc(cc1)OCc2ccccc2)C(=O)C3CCCC3
InChi [?]:
InChI=1/C29H42N2O2/c1-4-30(5-2)21-11-12-24(3)31(29(32)27-15-9-10-16-27)22-25-17-19-28(20-18-25)33-23-26-13-7-6-8-14-26/h6-8,13-14,17-20,24,27H,4-5,9-12,15-16,21-23H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,10,2,4,24,23,25,31,32,7,8,22,26,30,33,14,18,15,17,6,12,20,9,13,21,29,16,27,3,11,28,19/E:(1,2)(4,5)(7,8)(9,10)(13,14)(15,16)(17,18)(19,20)/rA:33cCCNCCCCCCCNCCCCCCCOCCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s11;d27;s27;s29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H42N2O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.6249 |
Area: | 735.481 |
Solvation: | -3.76216 |
Coulombic: | -32.4241 |
Bond Count [?]
All: | 35 |
Single: | 28 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 450.656 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.41 |
LogP (Chemaxon): | 5.82 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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