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Chemical ID: 4153186
Chemical ID:
4153186
Name [?]:
4-(2-methylphenoxy)-N-(m-tolyl)butanamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CCCOc2ccccc2C
InChi [?]:
InChI=1/C18H21NO2/c1-14-7-5-9-16(13-14)19-18(20)11-6-12-21-17-10-4-3-8-15(17)2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,18,17,4,12,3,19,5,16,11,13,7,2,20,6,15,9,8,10,14/rA:21nCCCCCCCNCOCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25826 |
Area: | 515.559 |
Solvation: | -3.6307 |
Coulombic: | -28.4505 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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