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Chemical ID: 6032167

Chemical ID:

6032167

Name [?]:

N-[2-(pentylcarbamoyl)ethyl]-N-sec-butyl-furan-3-carboxamide

SMILES [?]:

CCCCCNC(=O)CCN(C(C)CC)C(=O)c1ccoc1

InChi [?]:

InChI=1/C17H28N2O3/c1-4-6-7-10-18-16(20)8-11-19(14(3)5-2)17(21)15-9-12-22-13-15/h9,12-14H,4-8,10-11H2,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,15,13,2,14,3,4,9,19,5,10,20,22,12,18,7,16,6,11,8,17,21/rA:22cCCCCCNCOCCNCCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s12;s14;s11;d16;s16;s18;d19;s20;d18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.4947
Area:	551.023
Solvation:	-3.28088
Coulombic:	-44.2265

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	308.416
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.66
LogP (Chemaxon):	2.31

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