Chemical ID: 7020219

CC(C)CCOc1ccc(cc1)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
Chemical ID:
7020219
Name [?]:
N-[2,2-dimethylpropanoylamino-(4-isopentyloxyphenyl)-methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C22H36N2O3/c1-15(2)13-14-27-17-11-9-16(10-12-17)18(23-19(25)21(3,4)5)24-20(26)22(6,7)8/h9-12,15,18H,13-14H2,1-8H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,20,25,26,27,9,11,8,12,4,5,2,10,7,13,15,22,17,24,14,21,16,23,6/E:(1,2)(3,4,5,6,7,8)(9,10)(11,12)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:27nCCCCCOCCCCCCCNCOCCCCNCOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s17;s17;s13;s21;d22;s22;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H36N2O3
All Atoms:63
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.59
Area:637.998
Solvation:-4.35996
Coulombic:-51.061
Bond Count [?]
All:27
Single:22
Double:5
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.533
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.43
LogP (Chemaxon):5.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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