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Chemical ID: 5971903

CCCCCCC(=O)Nc1ccc(c(c1)C(=O)NCCC)N(CCCC)Cc2ccco2

Chemical ID:

5971903

Name [?]:

N-[4-(butyl-(2-furylmethyl)amino)-3-(propylcarbamoyl)phenyl]heptanamide

SMILES [?]:

CCCCCCC(=O)Nc1ccc(c(c1)C(=O)NCCC)N(CCCC)Cc2ccco2

InChi [?]:

InChI=1/C26H39N3O3/c1-4-7-9-10-13-25(30)28-21-14-15-24(23(19-21)26(31)27-16-6-3)29(17-8-5-2)20-22-12-11-18-32-22/h11-12,14-15,18-19H,4-10,13,16-17,20H2,1-3H3,(H,27,31)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,26,21,2,25,20,3,24,4,5,30,29,6,11,12,19,23,31,15,27,10,28,14,13,7,16,18,9,22,8,17,32/rA:32cCCCCCCCONCCCCCCCONCCCNCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s13;s22;s23;s24;s25;s22;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₉N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	14.2174
Area:	761.057
Solvation:	-4.80905
Coulombic:	-55.5709

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	17
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	441.606
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.96
LogP (Chemaxon):	5.49

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value