Chemical ID: 5553583

CCC(CC)NC(=O)COc1ccc(cc1)C
Chemical ID:
5553583
Name [?]:
N-(1-ethylpropyl)-2-(4-methylphenoxy)-acetamide
SMILES [?]:
CCC(CC)NC(=O)COc1ccc(cc1)C
InChi [?]:
InChI=1/C14H21NO2/c1-4-12(5-2)15-14(16)10-17-13-8-6-11(3)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,13,15,12,16,9,14,3,11,7,6,8,10/E:(1,2)(4,5)(6,7)(8,9)/rA:17nCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.72542
Area:448.068
Solvation:-3.47627
Coulombic:-29.6167
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.14
LogP (Chemaxon):2.88

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Descriptor Annotations

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