Chemical ID: 5822714

CCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C
Chemical ID:
5822714
Name [?]:
4-butoxy-N-(p-tolyl)benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C18H21NO2/c1-3-4-13-21-17-11-7-15(8-12-17)18(20)19-16-9-5-14(2)6-10-16/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,17,19,8,10,16,20,7,11,4,18,9,15,6,12,14,13,5/E:(5,6)(7,8)(9,10)(11,12)/rA:21nCCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.044
Area:520.008
Solvation:-2.95621
Coulombic:-30.8192
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):4.52

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