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Chemical ID: 6032284

Chemical ID:

6032284

Name [?]:

N-[2-(diethylcarbamoyl)ethyl]-2,5-dimethyl-N-propyl-furan-3-carboxamide

SMILES [?]:

CCCN(CCC(=O)N(CC)CC)C(=O)c1cc(oc1C)C

InChi [?]:

InChI=1/C17H28N2O3/c1-6-10-19(11-9-16(20)18(7-2)8-3)17(21)15-12-13(4)22-14(15)5/h12H,6-11H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,11,13,22,21,2,10,12,6,3,5,17,18,20,16,7,14,9,4,8,15,19/E:(2,3)(7,8)/rA:22nCCCNCCCONCCCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s9;s12;s4;d14;s14;s16;d17;s18;d16s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₈N₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2826
Area:	553.215
Solvation:	-3.54782
Coulombic:	-38.7497

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	308.416
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.75
LogP (Chemaxon):	1.25

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