Chemical ID: 4378910

Cc1cc(cc(c1)NC(=O)CCN2CCCC2)C
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

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Descriptor Annotations

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