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Chemical ID: 5874922
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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