Chemical ID: 5506690

CCCNC(=O)C(C)Oc1ccccc1C
Chemical ID:
5506690
Name [?]:
2-(2-methylphenoxy)-N-propyl-propanamide
SMILES [?]:
CCCNC(=O)C(C)Oc1ccccc1C
InChi [?]:
InChI=1/C13H19NO2/c1-4-9-14-13(15)11(3)16-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,8,2,13,12,14,11,3,15,7,10,5,4,6,9/rA:16cCCCNCOCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s7;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.44669
Area:429.657
Solvation:-3.29474
Coulombic:-30.1214
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.64
LogP (Chemaxon):2.53

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