Chemical ID: 4491342

COc1ccccc1NC(=O)CN2CCCC2
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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