Chemical ID: 6948265

CCC(C)c1ccccc1NC(=O)COc2ccccc2
Chemical ID:
6948265
Name [?]:
2-phenoxy-N-(2-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-3-14(2)16-11-7-8-12-17(16)19-18(20)13-21-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,18,20,7,8,17,21,6,9,14,3,16,5,10,12,11,13,15/E:(5,6)(9,10)/rA:21cCCCCCCCCCCNCOCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2
All Atoms:42
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.80261
Area:508.779
Solvation:-3.91687
Coulombic:-30.4109
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:283.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.44
LogP (Chemaxon):3.82

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