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Chemical ID: 6032255

Chemical ID:

6032255

Name [?]:

N-butyl-N-[2-(2-methoxyethylcarbamoyl)ethyl]-2,5-dimethyl-furan-3-carboxamide

SMILES [?]:

CCCCN(CCC(=O)NCCOC)C(=O)c1cc(oc1C)C

InChi [?]:

InChI=1/C17H28N2O4/c1-5-6-9-19(10-7-16(20)18-8-11-22-4)17(21)15-12-13(2)23-14(15)3/h12H,5-11H2,1-4H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,23,22,14,2,3,7,11,4,6,12,18,19,21,17,8,15,10,5,9,16,13,20/rA:23nCCCCNCCCONCCOCCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s5;d15;s15;s17;d18;s19;d17s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₈N₂O₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.67677
Area:	587.484
Solvation:	-5.01033
Coulombic:	-50.8583

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	324.415
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.14
LogP (Chemaxon):	0.55

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value