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Chemical ID: 5864712

Chemical ID:

5864712

Name [?]:

3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylamino]ethyl]benzamide

SMILES [?]:

COc1cccc(c1)CNCCNC(=O)c2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C19H24N2O4/c1-23-16-6-4-5-14(11-16)13-20-9-10-21-19(22)15-7-8-17(24-2)18(12-15)25-3/h4-8,11-12,20H,9-10,13H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,23,5,6,4,17,18,11,12,8,21,9,7,16,3,19,20,14,10,13,15,2,24,22/rA:25nCOCCCCCCCNCCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄N₂O₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	7.72885
Area:	597.464
Solvation:	-7.20776
Coulombic:	-51.8208

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	344.405
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.23
LogP (Chemaxon):	1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value