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Chemical ID: 5842414
Chemical ID:
5842414
Name [?]:
N-(2-hydroxypropyl)-N'-(tetrahydrofuran-2-ylmethyl)oxamide
SMILES [?]:
CC(CNC(=O)C(=O)NCC1CCCO1)O
InChi [?]:
InChI=1/C10H18N2O4/c1-7(13)5-11-9(14)10(15)12-6-8-3-2-4-16-8/h7-8,13H,2-6H2,1H3,(H,11,14)(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,3,10,2,11,5,7,4,9,16,6,8,15/rA:16cCCCNCOCONCCCCCOO/rB:s1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;s12;s13;s11s14;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H18N2O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.75805 |
Area: | 439.088 |
Solvation: | -4.21914 |
Coulombic: | -70.4822 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 230.261 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -1.0 |
LogP (Chemaxon): | -1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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