Chemical ID: 5454574

Cc1cccc(c1C)C(=O)OCC(=O)NC(C)(C)C
Chemical ID:
5454574
Name [?]:
tert-butylcarbamoylmethyl 2,3-dimethylbenzoate
SMILES [?]:
Cc1cccc(c1C)C(=O)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C15H21NO3/c1-10-7-6-8-12(11(10)2)14(18)19-9-13(17)16-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,17,18,19,4,3,5,12,2,7,6,13,9,16,15,14,10,11/E:(3,4,5)/rA:19nCCCCCCCCCOOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.21514
Area:471.11
Solvation:-2.56262
Coulombic:-41.912
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.332
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.3
LogP (Chemaxon):2.29

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Descriptor Annotations

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