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Chemical ID: 4508716
Chemical ID:
4508716
Name [?]:
N-benzyl-2-methoxy-N-methyl-benzamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)c2ccccc2OC
InChi [?]:
InChI=1/C16H17NO2/c1-17(12-13-8-4-3-5-9-13)16(18)14-10-6-7-11-15(14)19-2/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,7,6,8,14,15,5,9,13,16,3,4,12,17,10,2,11,18/E:(4,5)(8,9)/rA:19nCNCCCCCCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26607 |
Area: | 442.413 |
Solvation: | -3.79424 |
Coulombic: | -26.3024 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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