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Chemical ID: 4202872
Chemical ID:
4202872
Name [?]:
N'-benzyl-N-[(2-methoxyphenyl)methyl]oxamide
SMILES [?]:
COc1ccccc1CNC(=O)C(=O)NCc2ccccc2
InChi [?]:
InChI=1/C17H18N2O3/c1-22-15-10-6-5-9-14(15)12-19-17(21)16(20)18-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,6,5,18,22,7,4,16,9,17,8,3,13,11,15,10,14,12,2/E:(3,4)(7,8)/rA:22nCOCCCCCCCNCOCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99414 |
Area: | 531.355 |
Solvation: | -3.28974 |
Coulombic: | -56.6074 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 298.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.23 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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