Chemical ID: 4681337

CCOC(=O)c1ccc(cc1)NCCc2ccccc2
Chemical ID:
4681337
Name [?]:
ethyl 4-phenethylaminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NCCc2ccccc2
InChi [?]:
InChI=1/C17H19NO2/c1-2-20-17(19)15-8-10-16(11-9-15)18-13-12-14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,16,20,7,11,8,10,14,13,15,6,9,4,12,5,3/E:(4,5)(6,7)(8,9)(10,11)/rA:20nCCOCOCCCCCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.6908
Area:508.312
Solvation:-2.01701
Coulombic:-34.2821
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.338
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.89
LogP (Chemaxon):3.54

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Experimental Annotations

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Descriptor Annotations

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