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Chemical ID: 5496824
Chemical ID:
5496824
Name [?]:
N-[2-(pyrrolidin-1-ylcarbonylmethoxy)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccccc1OCC(=O)N2CCCC2
InChi [?]:
InChI=1/C14H18N2O3/c1-11(17)15-12-6-2-3-7-13(12)19-10-14(18)16-8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,7,8,17,18,6,9,16,19,12,2,5,10,13,4,15,3,14,11/E:(4,5)(8,9)/rA:19nCCONCCCCCCOCCONCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.92291 |
Area: | 465.793 |
Solvation: | -4.72193 |
Coulombic: | -43.0085 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.01 |
LogP (Chemaxon): | 0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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