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Chemical ID: 6659045
Chemical ID:
6659045
Name [?]:
ethyl 2-phenyl-2-(p-tolylamino)acetate
SMILES [?]:
CCOC(=O)C(c1ccccc1)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C17H19NO2/c1-3-20-17(19)16(14-7-5-4-6-8-14)18-15-11-9-13(2)10-12-15/h4-12,16,18H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,10,9,11,8,12,16,18,15,19,17,7,14,6,4,13,5,3/E:(5,6)(7,8)(9,10)(11,12)/rA:20cCCOCOCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s6;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.80556 |
Area: | 489.32 |
Solvation: | -2.42744 |
Coulombic: | -34.1943 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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