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Chemical ID: 4499869
Chemical ID:
4499869
Name [?]:
3-(4-isopropoxyphenyl)-3-phenyl-N,N-dipropyl-propanamide
SMILES [?]:
CCCN(CCC)C(=O)CC(c1ccccc1)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C24H33NO2/c1-5-16-25(17-6-2)24(26)18-23(20-10-8-7-9-11-20)21-12-14-22(15-13-21)27-19(3)4/h7-15,19,23H,5-6,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,26,27,2,6,15,14,16,13,17,19,23,20,22,3,5,10,25,12,18,21,11,8,4,9,24/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:27cCCCNCCCCOCCCCCCCCCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s11;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4071 |
Area: | 632.706 |
Solvation: | -3.41056 |
Coulombic: | -26.6607 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 367.524 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.4 |
LogP (Chemaxon): | 5.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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