Chemical ID: 4500239

CCc1ccc2c(c1)c(c(o2)C(=O)NCc3ccc(cc3)OC)C
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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