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Chemical ID: 6948575
Chemical ID:
6948575
Name [?]:
3-methoxy-N-(2-sec-butylphenyl)-benzamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C18H21NO2/c1-4-13(2)16-10-5-6-11-17(16)19-18(20)14-8-7-9-15(12-14)21-3/h5-13H,4H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,21,2,7,8,16,15,17,6,9,19,3,14,18,5,10,12,11,13,20/rA:21cCCCCCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.40737 |
Area: | 501.424 |
Solvation: | -3.12824 |
Coulombic: | -30.8101 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.67 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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