Chemical ID: 5873117

CN(C)c1ccc(cc1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CCC3CCCC3
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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