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Chemical ID: 4243924
Chemical ID:
4243924
Name [?]:
N,N-diethyl-3-(4-isopropoxyphenyl)-3-phenyl-propanamide
SMILES [?]:
CCN(CC)C(=O)CC(c1ccccc1)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C22H29NO2/c1-5-23(6-2)22(24)16-21(18-10-8-7-9-11-18)19-12-14-20(15-13-19)25-17(3)4/h7-15,17,21H,5-6,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,24,25,2,4,13,12,14,11,15,17,21,18,20,8,23,10,16,19,9,6,3,7,22/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:25cCCNCCCOCCCCCCCCCCCCCCOCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;s19;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1237 |
Area: | 581.541 |
Solvation: | -3.41479 |
Coulombic: | -25.8308 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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