Chemical ID: 5845778

Cc1ccc(o1)CNC(=O)CCC(=O)N(c2ccccc2)c3ccccc3
Chemical ID:
5845778
Name [?]:
N-[(5-methyl-2-furyl)methyl]-N',N'-diphenyl-butanediamide
SMILES [?]:
Cc1ccc(o1)CNC(=O)CCC(=O)N(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C22H22N2O3/c1-17-12-13-20(27-17)16-23-21(25)14-15-22(26)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13H,14-16H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,19,25,18,20,24,26,17,21,23,27,3,4,11,12,7,2,16,22,5,9,13,8,15,10,14,6/E:(2,3)(4,5,6,7)(8,9,10,11)(18,19)/rA:27nCCCCCOCNCOCCCONCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s15;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3085
Area:613.515
Solvation:-4.02937
Coulombic:-43.4905
Bond Count [?]
All:29
Single:19
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:362.422
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):2.74

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Descriptor Annotations

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