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Chemical ID: 6032270

Chemical ID:

6032270

Name [?]:

N-butyl-2,5-dimethyl-N-(2-morpholinocarbonylethyl)furan-3-carboxamide

SMILES [?]:

CCCCN(CCC(=O)N1CCOCC1)C(=O)c2cc(oc2C)C

InChi [?]:

InChI=1/C18H28N2O4/c1-4-5-7-20(18(22)16-13-14(2)24-15(16)3)8-6-17(21)19-9-11-23-12-10-19/h13H,4-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,24,23,2,3,7,4,6,11,15,12,14,19,20,22,18,8,16,10,5,9,17,13,21/E:(9,10)(11,12)/rA:24nCCCCNCCCONCCOCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s5;d16;s16;s18;d19;s20;d18s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₈N₂O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.50181
Area:	575.909
Solvation:	-4.8959
Coulombic:	-46.3792

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	336.426
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.07
LogP (Chemaxon):	0.62

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