Chemical ID: 6524771

CC(=O)CC(=O)NCc1cccc(c1)CNC(=O)CC(=O)C
Chemical ID:
6524771
Name [?]:
3-oxo-N-[[3-(3-oxobutanoylaminomethyl)phenyl]methyl]butanamide
SMILES [?]:
CC(=O)CC(=O)NCc1cccc(c1)CNC(=O)CC(=O)C
InChi [?]:
InChI=1/C16H20N2O4/c1-11(19)6-15(21)17-9-13-4-3-5-14(8-13)10-18-16(22)7-12(2)20/h3-5,8H,6-7,9-10H2,1-2H3,(H,17,21)(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,22,11,10,12,4,19,14,8,15,2,20,9,13,5,17,7,16,3,21,6,18/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:22nCCOCCONCCCCCCCCNCOCCOC/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;d17;s17;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.35364
Area:550.173
Solvation:-8.40069
Coulombic:-48.1751
Bond Count [?]
All:22
Single:15
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:304.341
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.91
LogP (Chemaxon):0.75

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Descriptor Annotations

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