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Chemical ID: 4586784

Chemical ID:

4586784

Name [?]:

N-benzyl-3,4,5-trimethoxy-benzamide

SMILES [?]:

COc1cc(cc(c1OC)OC)C(=O)NCc2ccccc2

InChi [?]:

InChI=1/C17H19NO4/c1-20-14-9-13(10-15(21-2)16(14)22-3)17(19)18-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,12,10,20,19,21,18,22,4,6,16,17,5,3,7,8,13,15,14,2,11,9/E:(1,2)(5,6)(7,8)(9,10)(14,15)(20,21)/rA:22nCOCCCCCCOCOCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.7643
Area:	517.545
Solvation:	-6.17433
Coulombic:	-44.212

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	301.337
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.48
LogP (Chemaxon):	1.96

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value