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Chemical ID: 4400555
Chemical ID:
4400555
Name [?]:
N-butyl-N'-(2-methoxyethyl)oxamide
SMILES [?]:
CCCCNC(=O)C(=O)NCCOC
InChi [?]:
InChI=1/C9H18N2O3/c1-3-4-5-10-8(12)9(13)11-6-7-14-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,4,11,12,6,8,5,10,7,9,13/rA:14nCCCCNCOCONCCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s8;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53386 |
Area: | 426.414 |
Solvation: | -3.12648 |
Coulombic: | -54.6742 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 202.251 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.05 |
LogP (Chemaxon): | -0.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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