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Chemical ID: 4246376
Chemical ID:
4246376
Name [?]:
N-[(4-methoxyphenyl)methyl]-3,5,6-trimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1cc2c(c(oc2cc1C)C(=O)NCc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C20H21NO3/c1-12-9-17-14(3)19(24-18(17)10-13(12)2)20(22)21-11-15-5-7-16(23-4)8-6-15/h5-10H,11H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,11,24,23,17,21,18,20,3,9,15,2,10,5,16,19,4,8,6,12,14,13,22,7/E:(5,6)(7,8)/rA:24nCCCCCCOCCCCCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s10;s6;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5192 |
Area: | 548.535 |
Solvation: | -3.19423 |
Coulombic: | -39.8918 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.386 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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