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Chemical ID: 7038908
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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