Chemical ID: 6462292

CCOC(=O)c1cccc(c1)NC(=O)c2ccc(cc2)C
Chemical ID:
6462292
Name [?]:
ethyl 3-(4-methylbenzoyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C17H17NO3/c1-3-21-17(20)14-5-4-6-15(11-14)18-16(19)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,2,8,7,9,17,19,16,20,11,18,15,6,10,13,4,12,14,5,3/E:(7,8)(9,10)/rA:21nCCOCOCCCCCCNCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0085
Area:504.471
Solvation:-2.60329
Coulombic:-42.808
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.322
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):3.46

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Descriptor Annotations

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