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Chemical ID: 4669410
Chemical ID:
4669410
Name [?]:
ethyl 3-diphenylaminopropanoate
SMILES [?]:
CCOC(=O)CCN(c1ccccc1)c2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-2-20-17(19)13-14-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,18,11,13,17,19,10,14,16,20,6,7,9,15,4,8,5,3/E:(3,4)(5,6,7,8)(9,10,11,12)(15,16)/rA:20nCCOCOCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1606 |
Area: | 491.543 |
Solvation: | -2.12803 |
Coulombic: | -26.7806 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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