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Chemical ID: 6321002

Chemical ID:

6321002

Name [?]:

3-(benzyl-methyl-amino)-N-(3,5-dimethoxyphenyl)-propanamide

SMILES [?]:

CN(CCC(=O)Nc1cc(cc(c1)OC)OC)Cc2ccccc2

InChi [?]:

InChI=1/C19H24N2O3/c1-21(14-15-7-5-4-6-8-15)10-9-19(22)20-16-11-17(23-2)13-18(12-16)24-3/h4-8,11-13H,9-10,14H2,1-3H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,15,17,22,21,23,20,24,4,3,13,9,11,18,19,8,12,10,5,7,2,6,14,16/E:(2,3)(5,6)(7,8)(11,12)(17,18)(23,24)/rA:24cCNCCCONCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;s10;s16;s2;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	8.93433
Area:	564.57
Solvation:	-5.17991
Coulombic:	-39.5147

Bond Count [?]

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

Chemical Properties

Molecular Weight:	328.406
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.5
LogP (Chemaxon):	2.69

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