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Chemical ID: 5549199
Chemical ID:
5549199
Name [?]:
N-benzyl-2-indan-5-yloxy-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)COc2ccc3c(c2)CCC3
InChi [?]:
InChI=1/C18H19NO2/c20-18(19-12-14-5-2-1-3-6-14)13-21-17-10-9-15-7-4-8-16(15)11-17/h1-3,5-6,9-11H,4,7-8,12-13H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,3,5,21,19,15,14,18,7,11,4,16,17,13,9,8,10,12/E:(2,3)(5,6)/rA:21nCCCCCCCNCOCOCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76677 |
Area: | 503.317 |
Solvation: | -3.81617 |
Coulombic: | -30.4256 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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