Chemical ID: 6918055

CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CN(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue