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Chemical ID: 6721906
Chemical ID:
6721906
Name [?]:
N-[(4-ethylphenyl)methyl]-3-(1-methylindol-3-yl)-propanamide
SMILES [?]:
CCc1ccc(cc1)CNC(=O)CCc2cn(c3c2cccc3)C
InChi [?]:
InChI=1/C21H24N2O/c1-3-16-8-10-17(11-9-16)14-22-21(24)13-12-18-15-23(2)20-7-5-4-6-19(18)20/h4-11,15H,3,12-14H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,21,22,20,23,4,8,5,7,14,13,9,16,3,6,15,19,18,11,10,17,12/E:(8,9)(10,11)/rA:24nCCCCCCCCCNCOCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;s17;s15s18;d19;s20;d21;d18s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O |
All Atoms: | 48 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8444 |
Area: | 576.444 |
Solvation: | -2.56672 |
Coulombic: | -28.4935 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 320.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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