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Chemical ID: 6657961

CC(=O)CC(=O)Nc1ccc(cc1OC)c2ccc(c(c2)OC)NC(=O)CC(=O)C

Chemical ID:

6657961

Name [?]:

N-[2-methoxy-4-[3-methoxy-4-(3-oxobutanoylamino)phenyl]-phenyl]-3-oxo-butanamide

SMILES [?]:

CC(=O)CC(=O)Nc1ccc(cc1OC)c2ccc(c(c2)OC)NC(=O)CC(=O)C

InChi [?]:

InChI=1/C22H24N2O6/c1-13(25)9-21(27)23-17-7-5-15(11-19(17)29-3)16-6-8-18(20(12-16)30-4)24-22(28)10-14(2)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,30,15,23,10,17,9,18,4,27,12,21,2,28,11,16,8,19,13,20,5,25,7,24,3,29,6,26,14,22/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)(29,30)/gE:(1,2)/rA:30nCCOCCONCCCCCCOCCCCCCCOCNCOCCOC/rB:s1;d2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;d25;s25;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₂O₆
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	6.16328
Area:	657.462
Solvation:	-10.2733
Coulombic:	-62.0541

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	412.436
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.83
LogP (Chemaxon):	2.69

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