Chemical ID: 6364269

CCC(CC)C(=O)Nc1ccccc1Oc2ccccc2
Chemical ID:
6364269
Name [?]:
2-ethyl-N-(2-phenoxyphenyl)-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1ccccc1Oc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-3-14(4-2)18(20)19-16-12-8-9-13-17(16)21-15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,18,20,11,12,17,21,10,13,3,16,9,14,6,8,7,15/E:(1,2)(3,4)(6,7)(10,11)/rA:21nCCCCCCONCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0831
Area:493.367
Solvation:-2.25112
Coulombic:-31.5364
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:4.44
LogP (Chemaxon):4.78

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