Chemical ID: 5845759

C1CC(OC1)CNC(=O)CCC(=O)N
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

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Descriptor Annotations

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