Chemical ID: 7224143

CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(C[NH2+]C(C)C)O
Chemical ID:
7224143
Name [?]:
[3-(2-acetyl-4-butanoylamino-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium
SMILES [?]:
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(C[NH2+]C(C)C)O
InChi [?]:
InChI=1/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,22,23,15,2,3,8,9,12,19,17,21,13,7,18,11,10,4,20,6,14,24,5,16/E:(2,3)/rA:24cCCCCONCCCCCCCOCOCCCN+CCCO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s10;s16;s17;s18;s19;s20;s21;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29N2O4+
All Atoms:53
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:-23.8189
Area:594.085
Solvation:-38.671
Coulombic:-13.3696
Bond Count [?]
All:24
Single:19
Double:5
Rotors:11
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.68
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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