Chemical ID: 6146552

Cc1ccc(cc1)OCCCC(=O)NC(C)C
Chemical ID:
6146552
Name [?]:
N-isopropyl-4-(4-methylphenoxy)-butanamide
SMILES [?]:
Cc1ccc(cc1)OCCCC(=O)NC(C)C
InChi [?]:
InChI=1/C14H21NO2/c1-11(2)15-14(16)5-4-10-17-13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:16,17,1,10,11,3,7,4,6,9,15,2,5,12,14,13,8/E:(1,2)(6,7)(8,9)/rA:17nCCCCCCCOCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.23397
Area:462.291
Solvation:-3.32331
Coulombic:-28.12
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:2.95
LogP (Chemaxon):2.37

Name Annotations

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Descriptor Annotations

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