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Chemical ID: 6036878

Chemical ID:

6036878

Name [?]:

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

SMILES [?]:

Cc1c(cco1)C(=O)N(CCC(=O)NC(C)C)C2CC2

InChi [?]:

InChI=1/C15H22N2O3/c1-10(2)16-14(18)6-8-17(12-4-5-12)15(19)13-7-9-20-11(13)3/h7,9-10,12H,4-6,8H2,1-3H3,(H,16,18)

InChi Info:

AuxInfo=1/1/N:16,17,1,19,20,11,4,10,5,15,2,18,3,12,7,14,9,13,8,6/E:(1,2)(4,5)/rA:20nCCCCCOCONCCCONCCCCCC/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;d12;s12;s14;s15;s15;s9;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₂N₂O₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.79047
Area:	478.738
Solvation:	-3.17797
Coulombic:	-42.9512

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	278.347
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.17
LogP (Chemaxon):	0.65

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