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Chemical ID: 4153184
Chemical ID:
4153184
Name [?]:
N-cyclopentyl-4-(2-methylphenoxy)-butanamide
SMILES [?]:
Cc1ccccc1OCCCC(=O)NC2CCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-13-7-2-5-10-15(13)19-12-6-11-16(18)17-14-8-3-4-9-14/h2,5,7,10,14H,3-4,6,8-9,11-12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,17,18,5,10,3,16,19,6,11,9,2,15,7,12,14,13,8/E:(3,4)(8,9)/rA:19nCCCCCCCOCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97336 |
Area: | 489.499 |
Solvation: | -3.26412 |
Coulombic: | -28.6561 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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