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Chemical ID: 6032315

Chemical ID:

6032315

Name [?]:

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

SMILES [?]:

CCCNC(=O)CCN(C(C)CC)C(=O)c1cc(oc1C)C

InChi [?]:

InChI=1/C17H28N2O3/c1-6-9-18-16(20)8-10-19(12(3)7-2)17(21)15-11-13(4)22-14(15)5/h11-12H,6-10H2,1-5H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,13,11,22,21,2,12,7,3,8,17,10,18,20,16,5,14,4,9,6,15,19/rA:22cCCCNCOCCNCCCCCOCCCOCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s10;s12;s9;d14;s14;s16;d17;s18;d16s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₈N₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.2555
Area:	531.97
Solvation:	-3.0437
Coulombic:	-43.6901

Bond Count [?]

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

Chemical Properties

Molecular Weight:	308.416
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.0
LogP (Chemaxon):	1.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value