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Chemical ID: 6146552
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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Experimental Annotations
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Descriptor Annotations
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