Chemical ID: 7038908

CCCCC(=O)NC(c1ccc(c(c1)OC)OC(=O)C)NC(=O)CCCC
Chemical ID:
7038908
Name [?]:
[4-[bis(pentanoylamino)methyl]-2-methoxy-phenyl] acetate
SMILES [?]:
CCCCC(=O)NC(c1ccc(c(c1)OC)OC(=O)C)NC(=O)CCCC
InChi [?]:
InChI=1/C20H30N2O5/c1-5-7-9-18(24)21-20(22-19(25)10-8-6-2)15-11-12-16(27-14(3)23)17(13-15)26-4/h11-13,20H,5-10H2,1-4H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,27,20,16,2,26,3,25,4,24,10,11,14,18,9,12,13,5,22,8,7,21,19,6,23,15,17/E:(1,2)(5,6)(7,8)(9,10)(18,19)(21,22)(24,25)/gE:(1,2)/rA:27nCCCCCONCCCCCCCOCOCOCNCOCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;d18;s18;s8;s21;d22;s22;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O5
All Atoms:57
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3889
Area:651.389
Solvation:-5.89579
Coulombic:-65.3953
Bond Count [?]
All:27
Single:21
Double:6
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:378.463
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.37
LogP (Chemaxon):2.45

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Descriptor Annotations

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