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Chemical ID: 6032192

Chemical ID:

6032192

Name [?]:

N-(2-furylmethyl)-N-[2-(isopropylcarbamoyl)ethyl]furan-3-carboxamide

SMILES [?]:

CC(C)NC(=O)CCN(Cc1ccco1)C(=O)c2ccoc2

InChi [?]:

InChI=1/C16H20N2O4/c1-12(2)17-15(19)5-7-18(10-14-4-3-8-22-14)16(20)13-6-9-21-11-13/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,3,13,12,7,19,8,14,20,10,22,2,18,11,5,16,4,9,6,17,21,15/E:(1,2)/rA:22nCCCNCOCCNCCCCCOCOCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;s11s14;s9;d16;s16;s18;d19;s20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀N₂O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.32467
Area:	515.119
Solvation:	-4.5533
Coulombic:	-49.72

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	304.341
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	0.79
LogP (Chemaxon):	0.96

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