Chemical ID: 4682234

CC(C)C(=O)NC(c1ccccc1)C(=O)OC
Chemical ID:
4682234
Name [?]:
methyl 2-(2-methylpropanoylamino)-2-phenyl-acetate
SMILES [?]:
CC(C)C(=O)NC(c1ccccc1)C(=O)OC
InChi [?]:
InChI=1/C13H17NO3/c1-9(2)12(15)14-11(13(16)17-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,17,11,10,12,9,13,2,8,7,4,14,6,5,15,16/E:(1,2)(5,6)(7,8)/rA:17cCCCCONCCCCCCCCOOC/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.95513
Area:434.664
Solvation:-2.91146
Coulombic:-41.6251
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.53
LogP (Chemaxon):1.95

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Descriptor Annotations

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