Chemical ID: 6468882

CC(C)(C)C1CCC(CC1)NC(=O)C(=O)NCc2ccc3c(c2)OCO3
Chemical ID:
6468882
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-(4-tert-butylcyclohexyl)-oxamide
SMILES [?]:
CC(C)(C)C1CCC(CC1)NC(=O)C(=O)NCc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C20H28N2O4/c1-20(2,3)14-5-7-15(8-6-14)22-19(24)18(23)21-11-13-4-9-16-17(10-13)26-12-25-16/h4,9-10,14-15H,5-8,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,6,10,7,9,20,23,17,25,18,5,8,21,22,14,12,2,16,11,15,13,26,24/E:(1,2,3)(5,6)(7,8)/rA:26nCCCCCCCCCCNCOCONCCCCCCCOCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;d12;s12;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5878
Area:596.111
Solvation:-3.31501
Coulombic:-65.0977
Bond Count [?]
All:28
Single:23
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:360.447
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.38
LogP (Chemaxon):3.06

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Descriptor Annotations

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