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Chemical ID: 5829630

CN(CCc1ccc(c(c1)OC)OC)C(=O)C2CCN(CC2)Cc3ccc(cc3OC)OC

Chemical ID:

5829630

Name [?]:

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

SMILES [?]:

CN(CCc1ccc(c(c1)OC)OC)C(=O)C2CCN(CC2)Cc3ccc(cc3OC)OC

InChi [?]:

InChI=1/C26H36N2O5/c1-27(13-10-19-6-9-23(31-3)25(16-19)33-5)26(29)20-11-14-28(15-12-20)18-21-7-8-22(30-2)17-24(21)32-4/h6-9,16-17,20H,10-15,18H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,33,14,31,12,6,25,26,7,4,18,22,3,19,21,10,28,23,5,17,24,27,8,29,9,15,2,20,16,32,13,30,11/E:(11,12)(14,15)/rA:33nCNCCCCCCCCOCOCCOCCCNCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s2;d15;s15;s17;s18;s19;s20;s17s21;s20;s23;s24;d25;s26;d27;d24s28;s29;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₆N₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	8.99287
Area:	722.125
Solvation:	-9.06025
Coulombic:	-48.8104

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	456.575
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.88
LogP (Chemaxon):	2.63

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