Chemical ID: 6654477

CCCCCc1ccc(c(c1)CCCCC)OCCCC(=O)N
Chemical ID:
6654477
Name [?]:
4-(2,4-dipentylphenoxy)butanamide
SMILES [?]:
CCCCCc1ccc(c(c1)CCCCC)OCCCC(=O)N
InChi [?]:
InChI=1/C20H33NO2/c1-3-5-7-10-17-13-14-19(23-15-9-12-20(21)22)18(16-17)11-8-6-4-2/h13-14,16H,3-12,15H2,1-2H3,(H2,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,3,14,4,13,19,5,12,20,7,8,18,11,6,10,9,21,23,22,17/rA:23nCCCCCCCCCCCCCCCCOCCCCON/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s15;s9;s17;s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H33NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.1104
Area:618.497
Solvation:-3.35203
Coulombic:-34.5248
Bond Count [?]
All:23
Single:19
Double:4
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:319.482
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.11
LogP (Chemaxon):5.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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