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Chemical ID: 6382181
Chemical ID:
6382181
Name [?]:
N-(3-methoxypropyl)furan-2-carboxamide
SMILES [?]:
COCCCNC(=O)c1ccco1
InChi [?]:
InChI=1/C9H13NO3/c1-12-6-3-5-10-9(11)8-4-2-7-13-8/h2,4,7H,3,5-6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,11,4,10,5,3,12,9,7,6,8,2,13/rA:13nCOCCCNCOCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0194 |
Area: | 381.968 |
Solvation: | -3.52981 |
Coulombic: | -37.7244 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 183.204 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.3 |
LogP (Chemaxon): | -0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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