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Chemical ID: 4500239
Chemical ID:
4500239
Name [?]:
5-ethyl-N-[(4-methoxyphenyl)methyl]-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
CCc1ccc2c(c1)c(c(o2)C(=O)NCc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C20H21NO3/c1-4-14-7-10-18-17(11-14)13(2)19(24-18)20(22)21-12-15-5-8-16(23-3)9-6-15/h5-11H,4,12H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,2,17,21,4,18,20,5,8,15,9,3,16,19,7,6,10,12,14,13,22,11/E:(5,6)(8,9)/rA:24nCCCCCCCCCCOCONCCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7118 |
Area: | 555.941 |
Solvation: | -3.18676 |
Coulombic: | -40.4491 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 323.386 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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