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Chemical ID: 4491342
Chemical ID:
4491342
Name [?]:
N-(2-methoxyphenyl)-2-pyrrolidin-1-yl-acetamide
SMILES [?]:
COc1ccccc1NC(=O)CN2CCCC2
InChi [?]:
InChI=1/C13H18N2O2/c1-17-12-7-3-2-6-11(12)14-13(16)10-15-8-4-5-9-15/h2-3,6-7H,4-5,8-10H2,1H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,6,5,15,16,7,4,14,17,12,8,3,10,9,13,11,2/E:(4,5)(8,9)/rA:17nCOCCCCCCNCOCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13759 |
Area: | 418.458 |
Solvation: | -3.32386 |
Coulombic: | -33.3171 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.22 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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