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Chemical ID: 4259617
Chemical ID:
4259617
Name [?]:
N,N-diethyl-4-hydroxy-3-methoxy-benzamide
SMILES [?]:
CCN(CC)C(=O)c1ccc(c(c1)OC)O
InChi [?]:
InChI=1/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,9,10,13,8,11,12,6,3,16,7,14/E:(1,2)(4,5)/rA:16nCCNCCCOCCCCCCOCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.27392 |
Area: | 407.003 |
Solvation: | -3.90115 |
Coulombic: | -40.4491 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 223.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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