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Chemical ID: 6032263

Chemical ID:

6032263

Name [?]:

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

SMILES [?]:

CCCCN(CCC(=O)NCc1ccco1)C(=O)c2cc(oc2C)C

InChi [?]:

InChI=1/C19H26N2O4/c1-4-5-9-21(19(23)17-12-14(2)25-15(17)3)10-8-18(22)20-13-16-7-6-11-24-16/h6-7,11-12H,4-5,8-10,13H2,1-3H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,25,24,2,3,14,13,7,4,6,15,20,11,21,23,12,19,8,17,10,5,9,18,16,22/rA:25nCCCCNCCCONCCCCCOCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s5;d17;s17;s19;d20;s21;d19s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₆N₂O₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.636
Area:	608.316
Solvation:	-4.57191
Coulombic:	-50.1308

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	346.421
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.73
LogP (Chemaxon):	1.44

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