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Chemical ID: 6419063

Chemical ID:

6419063

Name [?]:

1-(4-methoxyphenyl)-3-(p-tolylamino)pyrrolidine-2,5-dione

SMILES [?]:

Cc1ccc(cc1)NC2CC(=O)N(C2=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C18H18N2O3/c1-12-3-5-13(6-4-12)19-16-11-17(21)20(18(16)22)14-7-9-15(23-2)10-8-14/h3-10,16,19H,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,3,7,4,6,17,21,18,20,10,2,5,16,19,9,11,14,8,13,12,15,22/E:(3,4)(5,6)(7,8)(9,10)/rA:23cCCCCCCCNCCCONCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s9s13;d14;s13;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	7.99394
Area:	511.976
Solvation:	-4.80545
Coulombic:	-42.8818

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	310.347
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.92
LogP (Chemaxon):	2.52

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

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Chemical Mix	Source	External ID	Descriptor	Value