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Chemical ID: 6839054

COc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)NCc3ccccc3)OC

Chemical ID:

6839054

Name [?]:

N-benzyl-4-[(2,5-dimethoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

COc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)NCc3ccccc3)OC

InChi [?]:

InChI=1/C24H24N2O5/c1-29-20-12-13-22(30-2)21(14-20)26-23(27)16-31-19-10-8-18(9-11-19)24(28)25-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,31,27,26,28,25,29,16,18,15,19,4,5,8,23,12,24,17,14,3,7,6,10,20,22,9,11,21,2,30,13/E:(4,5)(6,7)(8,9)(10,11)/rA:31nCOCCCCCCNCOCOCCCCCCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₅
All Atoms:	55
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.61085
Area:	687.094
Solvation:	-7.5665
Coulombic:	-65.2654

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	420.458
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.62
LogP (Chemaxon):	3.04

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

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

Chemical Mix	Source	External ID	Descriptor	Value