Chemical ID: 5872763

Cc1ccc(cc1)C(=O)N(CCc2ccc(c(c2)OC)OC)Cc3ccccc3OC
Chemical ID:
5872763
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCc2ccc(c(c2)OC)OC)Cc3ccccc3OC
InChi [?]:
InChI=1/C26H29NO4/c1-19-9-12-21(13-10-19)26(28)27(18-22-7-5-6-8-23(22)29-2)16-15-20-11-14-24(30-3)25(17-20)31-4/h5-14,17H,15-16,18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,22,20,26,27,25,28,3,7,14,4,6,15,12,11,18,23,2,13,5,24,29,16,17,8,10,9,30,21,19/E:(9,10)(12,13)/rA:31nCCCCCCCCONCCCCCCCCOCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29NO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.49895
Area:633.945
Solvation:-6.34968
Coulombic:-41.748
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:419.513
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.06
LogP (Chemaxon):4.7

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Descriptor Annotations

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