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Chemical ID: 5845759
Chemical ID:
5845759
Name [?]:
N-(tetrahydrofuran-2-ylmethyl)butanediamide
SMILES [?]:
C1CC(OC1)CNC(=O)CCC(=O)N
InChi [?]:
InChI=1/C9H16N2O3/c10-8(12)3-4-9(13)11-6-7-2-1-5-14-7/h7H,1-6H2,(H2,10,12)(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,5,6,3,12,8,14,7,13,9,4/rA:14cCCCOCCNCOCCCON/rB:s1;s2;s3;s1s4;s3;s6;s7;d8;s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.00798 |
Area: | 396.624 |
Solvation: | -3.90762 |
Coulombic: | -51.2414 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 200.235 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -1.29 |
LogP (Chemaxon): | -1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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