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Chemical ID: 6636932
Chemical ID:
6636932
Name [?]:
N-(4-pentylphenyl)-2-phenoxy-propanamide
SMILES [?]:
CCCCCc1ccc(cc1)NC(=O)C(C)Oc2ccccc2
InChi [?]:
InChI=1/C20H25NO2/c1-3-4-6-9-17-12-14-18(15-13-17)21-20(22)16(2)23-19-10-7-5-8-11-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,21,4,20,22,5,19,23,7,11,8,10,15,6,9,18,13,12,14,17/E:(7,8)(10,11)(12,13)(14,15)/rA:23cCCCCCCCCCCCNCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6381 |
Area: | 566.033 |
Solvation: | -3.51274 |
Coulombic: | -31.7217 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.81 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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