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Chemical ID: 3938748

COc1ccc(cc1)C(=O)NC2CC3CCC(C2)N3Cc4ccccc4

Chemical ID:

3938748

Name [?]:

N-(8-benzyl-8-azabicyclo[3.2.1]oct-3-yl)-4-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)NC2CC3CCC(C2)N3Cc4ccccc4

InChi [?]:

InChI=1/C22H26N2O2/c1-26-21-11-7-17(8-12-21)22(25)23-18-13-19-9-10-20(14-18)24(19)15-16-5-3-2-4-6-16/h2-8,11-12,18-20H,9-10,13-15H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,22,26,5,7,15,16,4,8,13,18,20,21,6,12,14,17,3,9,11,19,10,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(19,20)/rA:26cCOCCCCCCCONCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s12s17;s14s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	2

ZAP Information [?]

Total:	10.6839
Area:	572.682
Solvation:	-3.63315
Coulombic:	-35.8688

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	350.454
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.03
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