Chemical ID: 7020134

CC(C)CCOc1ccc(cc1)C(NC(=O)CC(C)C)NC(=O)CC(C)C
Chemical ID:
7020134
Name [?]:
N-[(4-isopentyloxyphenyl)-(3-methylbutanoylamino)methyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(NC(=O)CC(C)C)NC(=O)CC(C)C
InChi [?]:
InChI=1/C22H36N2O3/c1-15(2)11-12-27-19-9-7-18(8-10-19)22(23-20(25)13-16(3)4)24-21(26)14-17(5)6/h7-10,15-17,22H,11-14H2,1-6H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,26,27,9,11,8,12,4,5,17,24,2,18,25,10,7,15,22,13,14,21,16,23,6/E:(1,2)(3,4,5,6)(7,8)(9,10)(13,14)(16,17)(20,21)(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;s18;s18;s13;s21;d22;s22;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H36N2O3
All Atoms:63
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9632
Area:658.908
Solvation:-4.50949
Coulombic:-49.9115
Bond Count [?]
All:27
Single:22
Double:5
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.533
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.59
LogP (Chemaxon):4.36

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Descriptor Annotations

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