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Chemical ID: 6524771
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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