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Chemical ID: 5829633

CCOc1ccc(cc1)CN2CCC(CC2)C(=O)N(C)CCc3ccc(c(c3)OC)OC

Chemical ID:

5829633

Name [?]:

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-ethoxyphenyl)methyl]-N-methyl-piperidine-4-carboxamide

SMILES [?]:

CCOc1ccc(cc1)CN2CCC(CC2)C(=O)N(C)CCc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C26H36N2O4/c1-5-32-23-9-6-21(7-10-23)19-28-16-13-22(14-17-28)26(29)27(2)15-12-20-8-11-24(30-3)25(18-20)31-4/h6-11,18,22H,5,12-17,19H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,20,32,30,2,6,8,24,5,9,25,22,13,15,21,12,16,28,10,23,7,14,4,26,27,17,19,11,18,31,29,3/E:(6,7)(9,10)(13,14)(16,17)/rA:32nCCOCCCCCCCNCCCCCCONCCCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₆N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2584
Area:	715.93
Solvation:	-7.6399
Coulombic:	-42.8977

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	440.575
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.39
LogP (Chemaxon):	3.23

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