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Chemical ID: 5539731

CCOc1ccc(cc1)N2C(=O)CC(C2=O)Nc3cc(ccc3OC)NC(=O)C

Chemical ID:

5539731

Name [?]:

N-[3-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]amino-4-methoxy-phenyl]acetamide

SMILES [?]:

CCOc1ccc(cc1)N2C(=O)CC(C2=O)Nc3cc(ccc3OC)NC(=O)C

InChi [?]:

InChI=1/C21H23N3O5/c1-4-29-16-8-6-15(7-9-16)24-20(26)12-18(21(24)27)23-17-11-14(22-13(2)25)5-10-19(17)28-3/h5-11,18,23H,4,12H2,1-3H3,(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,29,25,2,21,6,8,5,9,22,19,13,27,20,7,4,18,14,23,11,15,26,17,10,28,12,16,24,3/E:(6,7)(8,9)/rA:29cCCOCCCCCCNCOCCCONCCCCCCOCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s10s14;d15;s14;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃N₃O₅
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	8.76597
Area:	633.43
Solvation:	-7.06979
Coulombic:	-68.1363

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	397.425
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.08
LogP (Chemaxon):	1.47

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