Chemical ID: 6346447

CCCCCCCCC(=O)NCc1ccc2c(c1)OCO2
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

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Descriptor Annotations

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