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Chemical ID: 6050015

CCCN(CCC(=O)N1CC2(CC1CC(C2)(C)C)C)C(=O)c3ccoc3

Chemical ID:

6050015

Name [?]:

N-propyl-N-[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]ethyl]furan-3-carboxamide

SMILES [?]:

CCCN(CCC(=O)N1CC2(CC1CC(C2)(C)C)C)C(=O)c3ccoc3

InChi [?]:

InChI=1/C21H32N2O3/c1-5-8-22(19(25)16-7-10-26-13-16)9-6-18(24)23-15-21(4)12-17(23)11-20(2,3)14-21/h7,10,13,17H,5-6,8-9,11-12,14-15H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,17,18,19,2,6,23,3,5,24,14,12,26,16,10,22,13,7,20,15,11,4,9,8,21,25/E:(2,3)/rA:26cCCCNCCCONCCCCCCCCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;s14;s11s15;s15;s15;s11;s4;d20;s20;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₂N₂O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	2

ZAP Information [?]

Total:	10.7841
Area:	576.089
Solvation:	-3.61812
Coulombic:	-39.8328

Bond Count [?]

All:	28
Single:	24
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	360.49
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.22
LogP (Chemaxon):	2.91

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

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

Chemical Mix	Source	External ID	Descriptor	Value