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Chemical ID: 6918055
Chemical ID:
6918055
Name [?]:
(1-benzyl-3-dimethylamino-2-methyl-1-phenyl-propyl) propanoate
SMILES [?]:
CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C
InChi [?]:
InChI=1/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,24,25,2,11,17,10,12,16,18,9,13,15,19,7,22,20,8,14,3,6,23,4,5/E:(3,4)(8,9)(10,11)(12,13)(14,15)/rA:25cCCCOOCCCCCCCCCCCCCCCCCNCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;d15;s16;d17;d14s18;s6;s20;s20;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO2 |
All Atoms: | 54 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8064 |
Area: | 525.376 |
Solvation: | -2.328 |
Coulombic: | -27.5846 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.37 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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