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Chemical ID: 4378910
Chemical ID:
4378910
Name [?]:
N-(3,5-dimethylphenyl)-3-pyrrolidin-1-yl-propanamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CCN2CCCC2)C
InChi [?]:
InChI=1/C15H22N2O/c1-12-9-13(2)11-14(10-12)16-15(18)5-8-17-6-3-4-7-17/h9-11H,3-8H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,18,15,16,11,14,17,12,3,7,5,2,4,6,9,8,13,10/E:(1,2)(3,4)(6,7)(10,11)(12,13)/rA:18nCCCCCCCNCOCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28192 |
Area: | 458.297 |
Solvation: | -2.17551 |
Coulombic: | -24.9946 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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