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Chemical ID: 6356044
Chemical ID:
6356044
Name [?]:
4-(2-methylpropanoylamino)benzamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(cc1)C(=O)N
InChi [?]:
InChI=1/C11H14N2O2/c1-7(2)11(15)13-9-5-3-8(4-6-9)10(12)14/h3-7H,1-2H3,(H2,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,9,11,8,12,2,10,7,13,4,15,6,14,5/E:(1,2)(3,4)(5,6)/rA:15nCCCCONCCCCCCCON/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03839 |
Area: | 391.937 |
Solvation: | -2.76004 |
Coulombic: | -46.0615 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.241 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.71 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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