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Chemical ID: 6839242

Cc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3OC)OC

Chemical ID:

6839242

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3OC)OC

InChi [?]:

InChI=1/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(28)17-6-10-19(11-7-17)31-15-23(27)26-21-14-20(29-2)12-13-22(21)30-3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,31,29,3,7,12,16,4,6,13,15,25,26,23,18,2,11,5,14,24,22,27,19,9,8,21,20,10,30,28,17/E:(4,5)(6,7)(8,9)(10,11)/rA:31nCCCCCCCNCOCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.26529
Area:	674.365
Solvation:	-7.59383
Coulombic:	-63.7791

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	420.458
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.91
LogP (Chemaxon):	3.89

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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