Chemical ID: 5792991

CCCCCCCCCCCC(=O)Nc1cccc(c1)C#C
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

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Descriptor Annotations

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