Chemical ID: 4153807

Cc1ccccc1NC(=O)CCCOc2ccc(cc2)C(C)(C)C
Chemical ID:
4153807
Name [?]:
N-(o-tolyl)-4-(4-tert-butylphenoxy)-butanamide
SMILES [?]:
Cc1ccccc1NC(=O)CCCOc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C21H27NO2/c1-16-8-5-6-9-19(16)22-20(23)10-7-15-24-18-13-11-17(12-14-18)21(2,3)4/h5-6,8-9,11-14H,7,10,15H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,4,5,12,3,6,11,17,19,16,20,13,2,18,15,7,9,21,8,10,14/E:(2,3,4)(11,12)(13,14)/rA:24nCCCCCCCNCOCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7251
Area:574.126
Solvation:-3.62801
Coulombic:-29.3121
Bond Count [?]
All:25
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:325.445
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.23
LogP (Chemaxon):4.75

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