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Chemical ID: 3965217
Chemical ID:
3965217
Name [?]:
N-[3-acetyl-4-(2-hydroxy-3-isopropylamino-propoxy)-phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(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)
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:24cCCCCONCCCCCCCOCOCCCNCCCO/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: | C18H28N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.10813 |
Area: | 595.059 |
Solvation: | -7.76834 |
Coulombic: | -56.4303 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 336.426 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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