Chemical ID: 6157549

CCC(CC)C(=O)Nc1ccccc1OCC
Chemical ID:
6157549
Name [?]:
N-(2-ethoxyphenyl)-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1ccccc1OCC
InChi [?]:
InChI=1/C14H21NO2/c1-4-11(5-2)14(16)15-12-9-7-8-10-13(12)17-6-3/h7-11H,4-6H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,16,11,12,10,13,3,9,14,6,8,7,15/E:(1,2)(4,5)/rA:17nCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.59474
Area:442.806
Solvation:-2.47541
Coulombic:-29.9099
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.3
LogP (Chemaxon):3.45

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Descriptor Annotations

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