Chemical ID: 6659045

CCOC(=O)C(c1ccccc1)Nc2ccc(cc2)C
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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Descriptor Annotations

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