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Chemical ID: 4156305
Chemical ID:
4156305
Name [?]:
N-(2-butoxyphenyl)benzamide
SMILES [?]:
CCCCOc1ccccc1NC(=O)c2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-2-3-13-20-16-12-8-7-11-15(16)18-17(19)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,17,19,9,8,16,20,10,7,4,15,11,6,13,12,14,5/E:(5,6)(9,10)/rA:20nCCCCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8616 |
Area: | 493.472 |
Solvation: | -2.47519 |
Coulombic: | -32.5193 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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