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Chemical ID: 4499857
Chemical ID:
4499857
Name [?]:
N-[3-(2-furyl)-3-(2-methoxyphenyl)-propyl]-N-[(4-isopropoxyphenyl)methyl]propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccccc1OC)c2ccco2)Cc3ccc(cc3)OC(C)C
InChi [?]:
InChI=1/C27H33NO4/c1-5-27(29)28(19-21-12-14-22(15-13-21)32-20(2)3)17-16-24(26-11-8-18-31-26)23-9-6-7-10-25(23)30-4/h6-15,18,20,24H,5,16-17,19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,32,16,2,11,12,19,10,13,18,24,28,25,27,7,6,20,22,30,23,26,9,8,14,17,3,5,4,15,21,29/E:(2,3)(12,13)(14,15)/rA:32cCCCONCCCCCCCCCOCCCCCOCCCCCCCOCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s8;d17;s18;d19;s17s20;s5;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H33NO4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6418 |
Area: | 703.42 |
Solvation: | -5.94369 |
Coulombic: | -39.0889 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 435.555 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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