Chemical ID: 5874922

CCC(c1ccccc1)C(=O)N(CCc2ccc(c(c2)OC)OC)Cc3ccc(cc3)OCC
Chemical ID:
5874922
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]-2-phenyl-butanamide
SMILES [?]:
CCC(c1ccccc1)C(=O)N(CCc2ccc(c(c2)OC)OC)Cc3ccc(cc3)OCC
InChi [?]:
InChI=1/C29H35NO4/c1-5-26(24-10-8-7-9-11-24)29(31)30(21-23-12-15-25(16-13-23)34-6-2)19-18-22-14-17-27(32-3)28(20-22)33-4/h7-17,20,26H,5-6,18-19,21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,34,24,22,2,33,7,6,8,5,9,27,31,16,28,30,17,14,13,20,25,15,26,4,29,3,18,19,10,12,11,23,21,32/E:(8,9)(10,11)(12,13)(15,16)/rA:34cCCCCCCCCCCONCCCCCCCCOCOCCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s12;s25;s26;d27;s28;d29;d26s30;s29;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H35NO4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.6605
Area:718.882
Solvation:-7.31151
Coulombic:-40.9046
Bond Count [?]
All:36
Single:26
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:461.593
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.64
LogP (Chemaxon):5.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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