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Chemical ID: 5249045
Chemical ID:
5249045
Name [?]:
N,N-diethyl-2,3-dimethoxy-benzamide
SMILES [?]:
CCN(CC)C(=O)c1cccc(c1OC)OC
InChi [?]:
InChI=1/C13H19NO3/c1-5-14(6-2)13(15)10-8-7-9-11(16-3)12(10)17-4/h7-9H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,17,15,2,4,10,9,11,8,12,13,6,3,7,16,14/E:(1,2)(5,6)/rA:17nCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s12;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.41989 |
Area: | 414.58 |
Solvation: | -4.94461 |
Coulombic: | -31.5375 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.98 |
LogP (Chemaxon): | 1.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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