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Chemical ID: 4469030
Chemical ID:
4469030
Name [?]:
3-phenyl-N-[4-(2-pyrrolidin-1-ylcarbonylethyl)phenyl]-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2ccc(cc2)CCC(=O)N3CCCC3
InChi [?]:
InChI=1/C22H26N2O2/c25-21(14-10-18-6-2-1-3-7-18)23-20-12-8-19(9-13-20)11-15-22(26)24-16-4-5-17-24/h1-3,6-9,12-13H,4-5,10-11,14-17H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,25,3,5,14,16,7,18,13,17,8,19,23,26,4,15,12,9,20,11,22,10,21/E:(2,3)(4,5)(6,7)(8,9)(12,13)(16,17)/rA:26nCCCCCCCCCONCCCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.822 |
Area: | 613.314 |
Solvation: | -3.51084 |
Coulombic: | -37.0847 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 350.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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