Chemical ID: 4326325

c1cc2c(cc1C(=O)NC3CCCCC3)OCO2
Chemical ID:
4326325
Name [?]:
N-cyclohexylbenzo[1,3]dioxole-5-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)NC3CCCCC3)OCO2
InChi [?]:
InChI=1/C14H17NO3/c16-14(15-11-4-2-1-3-5-11)10-6-7-12-13(8-10)18-9-17-12/h6-8,11H,1-5,9H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:13,12,14,11,15,1,2,5,17,6,10,3,4,7,9,8,18,16/E:(2,3)(4,5)/rA:18nCCCCCCCONCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s4;s16;s3s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.75287
Area:430.555
Solvation:-3.011
Coulombic:-38.592
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.29
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.01
LogP (Chemaxon):2.21

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Descriptor Annotations

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