Chemical ID: 7020133

CCCCC(=O)NC(c1ccc(cc1)OCCC(C)C)NC(=O)CCCC
Chemical ID:
7020133
Name [?]:
N-[(4-isopentyloxyphenyl)-pentanoylamino-methyl]pentanamide
SMILES [?]:
CCCCC(=O)NC(c1ccc(cc1)OCCC(C)C)NC(=O)CCCC
InChi [?]:
InChI=1/C22H36N2O3/c1-5-7-9-20(25)23-22(24-21(26)10-8-6-2)18-11-13-19(14-12-18)27-16-15-17(3)4/h11-14,17,22H,5-10,15-16H2,1-4H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,19,20,2,26,3,25,4,24,10,14,11,13,17,16,18,9,12,5,22,8,7,21,6,23,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(20,21)(23,24)(25,26)/gE:(1,2)/rA:27nCCCCCONCCCCCCCOCCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;s18;s8;s21;d22;s22;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H36N2O3
All Atoms:63
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.4766
Area:683.866
Solvation:-4.62011
Coulombic:-49.8953
Bond Count [?]
All:27
Single:22
Double:5
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:376.533
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.72
LogP (Chemaxon):4.49

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Descriptor Annotations

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