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Chemical ID: 6934012

Chemical ID:

6934012

Name [?]:

4-diethylamino-N-[2-(4-methoxyphenyl)ethyl]benzamide

SMILES [?]:

CCN(CC)c1ccc(cc1)C(=O)NCCc2ccc(cc2)OC

InChi [?]:

InChI=1/C20H26N2O2/c1-4-22(5-2)18-10-8-17(9-11-18)20(23)21-15-14-16-6-12-19(24-3)13-7-16/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,5,24,2,4,18,22,8,10,7,11,19,21,16,15,17,9,6,20,12,14,3,13,23/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24nCCNCCCCCCCCCONCCCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₆N₂O₂
All Atoms:	50
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9388
Area:	582.847
Solvation:	-3.63239
Coulombic:	-36.9537

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	326.433
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.26
LogP (Chemaxon):	3.67

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

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Chemical Mix	Source	External ID	Descriptor	Value