Chemical ID: 5503569

Cc1cc(c(c(c1)C)NC(=O)CCCN2CCCC2)C
Chemical ID:
5503569
Name [?]:
4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)-butanamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)CCCN2CCCC2)C
InChi [?]:
InChI=1/C17H26N2O/c1-13-11-14(2)17(15(3)12-13)18-16(20)7-6-10-19-8-4-5-9-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,20,17,18,13,12,16,19,14,7,3,2,6,4,10,5,9,15,11/E:(2,3)(4,5)(8,9)(11,12)(14,15)/rA:20nCCCCCCCCNCOCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s17;s15s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.81981
Area:495.319
Solvation:-2.56317
Coulombic:-24.4805
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.401
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):2.1

Name Annotations

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Descriptor Annotations

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