Chemical ID: 6869530

COc1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2
Chemical ID:
6869530
Name [?]:
phenylcarbamoylmethyl 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)OCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C16H15NO4/c1-20-14-9-7-12(8-10-14)16(19)21-11-15(18)17-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,5,7,4,8,12,6,16,3,13,9,15,14,10,2,11/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCOCCCCCCCOOCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO4
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.9217
Area:498.01
Solvation:-4.52856
Coulombic:-48.3719
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.295
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.61
LogP (Chemaxon):2.42

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Descriptor Annotations

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