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Chemical ID: 4154936
Chemical ID:
4154936
Name [?]:
N-(4-isopropoxyphenyl)butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cc1)OC(C)C
InChi [?]:
InChI=1/C13H19NO2/c1-4-5-13(15)14-11-6-8-12(9-7-11)16-10(2)3/h6-10H,4-5H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,16,2,3,8,12,9,11,14,7,10,4,6,5,13/E:(2,3)(6,7)(8,9)/rA:16nCCCCONCCCCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96501 |
Area: | 429.18 |
Solvation: | -2.76449 |
Coulombic: | -27.9025 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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