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Chemical ID: 4424459

COc1ccc(cc1)C(=O)Nc2ccccc2C(=O)NCCc3ccc(c(c3)OC)OC

Chemical ID:

4424459

Name [?]:

N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)Nc2ccccc2C(=O)NCCc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C25H26N2O5/c1-30-19-11-9-18(10-12-19)24(28)27-21-7-5-4-6-20(21)25(29)26-15-14-17-8-13-22(31-2)23(16-17)32-3/h4-13,16H,14-15H2,1-3H3,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,32,30,15,14,16,13,24,5,7,4,8,25,22,21,28,23,6,3,17,12,26,27,9,18,20,11,10,19,2,31,29/E:(9,10)(11,12)/rA:32nCOCCCCCCCONCCCCCCCONCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.86486
Area:	692.662
Solvation:	-7.45168
Coulombic:	-65.8218

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	434.484
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.17
LogP (Chemaxon):	3.92

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

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Chemical Mix	Source	External ID	Descriptor	Value