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Chemical ID: 5169760
Chemical ID:
5169760
Name [?]:
N-(tetrahydropyran-2-ylmethyl)undec-10-enamide
SMILES [?]:
C=CCCCCCCCCC(=O)NCC1CCCCO1
InChi [?]:
InChI=1/C17H31NO2/c1-2-3-4-5-6-7-8-9-13-17(19)18-15-16-12-10-11-14-20-16/h2,16H,1,3-15H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,17,18,16,10,19,14,15,11,13,12,20/rA:20cCCCCCCCCCCCONCCCCCCO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H31NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9227 |
Area: | 559.307 |
Solvation: | -3.05994 |
Coulombic: | -31.5978 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 281.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.86 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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