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Chemical ID: 6032684

Chemical ID:

6032684

Name [?]:

N-[2-(benzylcarbamoyl)ethyl]-N-hexyl-furan-3-carboxamide

SMILES [?]:

CCCCCCN(CCC(=O)NCc1ccccc1)C(=O)c2ccoc2

InChi [?]:

InChI=1/C21H28N2O3/c1-2-3-4-8-13-23(21(25)19-12-15-26-17-19)14-11-20(24)22-16-18-9-6-5-7-10-18/h5-7,9-10,12,15,17H,2-4,8,11,13-14,16H2,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,17,16,18,5,15,19,9,23,6,8,24,13,26,14,22,10,20,12,7,11,21,25/E:(6,7)(9,10)/rA:26nCCCCCCNCCCONCCCCCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s7;d20;s20;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₈N₂O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0234
Area:	632.244
Solvation:	-3.7827
Coulombic:	-46.0205

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	356.459
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.7
LogP (Chemaxon):	3.26

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