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Chemical ID: 5911083
Chemical ID:
5911083
Name [?]:
N-(2-methoxyethyl)-N-[(5-methyl-2-furyl)methyl]benzamide
SMILES [?]:
Cc1ccc(o1)CN(CCOC)C(=O)c2ccccc2
InChi [?]:
InChI=1/C16H19NO3/c1-13-8-9-15(20-13)12-17(10-11-19-2)16(18)14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,18,17,19,16,20,3,4,9,10,7,2,15,5,13,8,14,11,6/E:(4,5)(6,7)/rA:20nCCCCCOCNCCOCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;s8;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88261 |
Area: | 471.976 |
Solvation: | -4.9168 |
Coulombic: | -31.6613 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 273.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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