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Chemical ID: 7279623
Chemical ID:
7279623
Name [?]:
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)CC2CCCC2
InChi [?]:
InChI=1/C15H21NO3/c1-18-13-8-7-12(10-14(13)19-2)16-15(17)9-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,10,17,18,16,19,5,4,14,7,15,6,3,8,12,11,13,2,9/E:(3,4)(5,6)/rA:19nCOCCCCCCOCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO3 |
All Atoms: | 40 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53702 |
Area: | 464.783 |
Solvation: | -5.08255 |
Coulombic: | -33.9255 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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