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Chemical ID: 4143634
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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