Chemical ID: 3965217

CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O
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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Descriptor Annotations

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