Chemical ID: 4143634

CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)OC
Chemical ID:
4143634
Name [?]:
methyl 4-(2,2-dimethylpropanoylamino)benzoate
SMILES [?]:
CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)OC
InChi [?]:
InChI=1/C13H17NO3/c1-13(2,3)12(16)14-10-7-5-9(6-8-10)11(15)17-4/h5-8H,1-4H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,10,12,9,13,11,8,14,5,2,7,15,6,16/E:(1,2,3)(5,6)(7,8)/rA:17nCCCCCONCCCCCCCOOC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.31701
Area:434.337
Solvation:-2.54141
Coulombic:-40.7758
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.96
LogP (Chemaxon):2.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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