Chemical ID: 5781866

CCCCCc1ccc(c(c1)CCCCC)OCCCCNC(=O)c2ccc3ccccc3c2O
Chemical ID:
5781866
Name [?]:
N-[4-(2,4-dipentylphenoxy)butyl]-1-hydroxy-naphthalene-2-carboxamide
SMILES [?]:
CCCCCc1ccc(c(c1)CCCCC)OCCCCNC(=O)c2ccc3ccccc3c2O
InChi [?]:
InChI=1/C31H41NO3/c1-3-5-7-13-24-17-20-29(26(23-24)15-8-6-4-2)35-22-12-11-21-32-31(34)28-19-18-25-14-9-10-16-27(25)30(28)33/h9-10,14,16-20,23,33H,3-8,11-13,15,21-22H2,1-2H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,3,14,4,13,30,31,20,19,5,29,12,32,7,27,26,8,21,18,11,6,28,10,33,25,9,34,23,22,35,24,17/rA:35nCCCCCCCCCCCCCCCCOCCCCNCOCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s15;s9;s17;s18;s19;s20;s21;s22;d23;s23;s25;d26;s27;s28;d29;s30;d31;d28s32;d25s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H41NO3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:16.044
Area:821.003
Solvation:-4.48104
Coulombic:-49.8475
Bond Count [?]
All:37
Single:28
Double:9
Rotors:16
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:475.662
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:10.16
LogP (Chemaxon):8.54

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Descriptor Annotations

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