Chemical ID: 6850576

CCCc1ccc(cc1)OCCCC(=O)Nc2ccccc2
Chemical ID:
6850576
Name [?]:
N-phenyl-4-(4-propylphenoxy)-butanamide
SMILES [?]:
CCCc1ccc(cc1)OCCCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C19H23NO2/c1-2-7-16-11-13-18(14-12-16)22-15-6-10-19(21)20-17-8-4-3-5-9-17/h3-5,8-9,11-14H,2,6-7,10,15H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,12,3,18,22,13,5,9,6,8,11,4,17,7,14,16,15,10/E:(4,5)(8,9)(11,12)(13,14)/rA:22nCCCCCCCCCOCCCCONCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO2
All Atoms:45
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0177
Area:547.848
Solvation:-3.67849
Coulombic:-29.1747
Bond Count [?]
All:23
Single:16
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.391
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):4.57

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Descriptor Annotations

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