Chemical ID: 4469030

c1ccc(cc1)CCC(=O)Nc2ccc(cc2)CCC(=O)N3CCCC3
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

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Descriptor Annotations

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