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Chemical ID: 7328129
Chemical ID:
7328129
Name [?]:
N-(2-methoxyphenyl)-2-(6-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C18H17NO3/c1-12-7-8-14-13(11-22-17(14)9-12)10-18(20)19-15-5-3-4-6-16(15)21-2/h3-9,11H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,17,18,16,19,3,4,7,11,9,2,10,5,15,20,6,12,14,13,21,8/rA:22nCCCCCCCOCCCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO3 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07927 |
Area: | 499.103 |
Solvation: | -4.3983 |
Coulombic: | -35.1598 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.12 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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