ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 6032077

Chemical ID:

6032077

Name [?]:

N-butyl-N-[2-[(4-methyl-1-piperidyl)carbonyl]ethyl]furan-3-carboxamide

SMILES [?]:

CCCCN(CCC(=O)N1CCC(CC1)C)C(=O)c2ccoc2

InChi [?]:

InChI=1/C18H28N2O3/c1-3-4-9-20(18(22)16-8-13-23-14-16)12-7-17(21)19-10-5-15(2)6-11-19/h8,13-15H,3-7,9-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,16,2,3,12,14,7,20,4,11,15,6,21,23,13,19,8,17,10,5,9,18,22/E:(5,6)(10,11)/rA:23nCCCCNCCCONCCCCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s5;d17;s17;s19;d20;s21;d19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₈N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3406
Area:	553.952
Solvation:	-3.50822
Coulombic:	-39.4862

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	320.427
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.37
LogP (Chemaxon):	1.99

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value