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Chemical ID: 5864659

COc1ccc(cc1OC)C(=O)NCCNC(=O)c2ccc(c(c2)OC)OC

Chemical ID:

5864659

Name [?]:

N-[2-(3,4-dimethoxybenzoyl)aminoethyl]-3,4-dimethoxy-benzamide

SMILES [?]:

COc1ccc(cc1OC)C(=O)NCCNC(=O)c2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C20H24N2O6/c1-25-15-7-5-13(11-17(15)27-3)19(23)21-9-10-22-20(24)14-6-8-16(26-2)18(12-14)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,28,10,26,5,20,4,21,14,15,7,24,6,19,3,22,8,23,11,17,13,16,12,18,2,27,9,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCOCCCCCCOCCONCCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₆
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	6.43023
Area:	642.844
Solvation:	-9.64088
Coulombic:	-70.2909

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	388.414
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	1.77
LogP (Chemaxon):	0.7

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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