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Chemical ID: 6462313
Chemical ID:
6462313
Name [?]:
N-(4-acetamidophenyl)propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cc1)NC(=O)C
InChi [?]:
InChI=1/C11H14N2O2/c1-3-11(15)13-10-6-4-9(5-7-10)12-8(2)14/h4-7H,3H2,1-2H3,(H,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,15,2,8,10,7,11,13,9,6,3,12,5,14,4/E:(4,5)(6,7)/rA:15nCCCONCCCCCCNCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65239 |
Area: | 394.884 |
Solvation: | -3.21971 |
Coulombic: | -38.085 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.241 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.36 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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