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Chemical ID: 4506788
Chemical ID:
4506788
Name [?]:
N'-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)oxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)C(=O)NCc2ccc(cc2)OC
InChi [?]:
InChI=1/C18H20N2O3/c1-13(15-6-4-3-5-7-15)20-18(22)17(21)19-12-14-8-10-16(23-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,6,5,7,4,8,17,21,18,20,15,2,16,3,19,12,10,14,9,13,11,22/E:(4,5)(6,7)(8,9)(10,11)/rA:23cCCCCCCCCNCOCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4098 |
Area: | 551.403 |
Solvation: | -3.37528 |
Coulombic: | -56.5579 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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