Chemical ID: 7269176

CC(C)c1cccc(c1NC(=O)CNC(C)(C)C)C(C)C
Chemical ID:
7269176
Name [?]:
N-(2,6-diisopropylphenyl)-2-tert-butylamino-acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)CNC(C)(C)C)C(C)C
InChi [?]:
InChI=1/C18H30N2O/c1-12(2)14-9-8-10-15(13(3)4)17(14)20-16(21)11-19-18(5,6)7/h8-10,12-13,19H,11H2,1-7H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,16,17,18,6,5,7,13,2,19,4,8,11,9,15,14,10,12/E:(1,2,3,4)(5,6,7)(9,10)(12,13)(14,15)/rA:21nCCCCCCCCCNCOCNCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s15;s15;s8;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H30N2O
All Atoms:51
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4136
Area:517.762
Solvation:-2.53041
Coulombic:-30.6304
Bond Count [?]
All:21
Single:17
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:290.444
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):2.8

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Descriptor Annotations

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