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Chemical ID: 6462292
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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