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Chemical ID: 5792991
Chemical ID:
5792991
Name [?]:
N-(3-ethynylphenyl)dodecanamide
SMILES [?]:
CCCCCCCCCCCC(=O)Nc1cccc(c1)C#C
InChi [?]:
InChI=1/C20H29NO/c1-3-5-6-7-8-9-10-11-12-16-20(22)21-19-15-13-14-18(4-2)17-19/h2,13-15,17H,3,5-12,16H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,3,4,5,6,7,8,9,10,17,18,16,11,20,19,15,12,14,13/rA:22nCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0179 |
Area: | 604.786 |
Solvation: | -2.10172 |
Coulombic: | -25.1393 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 299.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.15 |
LogP (Chemaxon): | 5.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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