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Chemical ID: 6346447
Chemical ID:
6346447
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)nonanamide
SMILES [?]:
CCCCCCCCC(=O)NCc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C17H25NO3/c1-2-3-4-5-6-7-8-17(19)18-12-14-9-10-15-16(11-14)21-13-20-15/h9-11H,2-8,12-13H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,14,15,18,12,20,13,16,17,9,11,10,21,19/rA:21nCCCCCCCCCONCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4611 |
Area: | 552.201 |
Solvation: | -3.34391 |
Coulombic: | -38.694 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 291.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.84 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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