Chemical ID: 6754706

CC(=O)NCCN1C(C(C(=O)C1=O)C(=O)c2ccccc2)c3ccccc3
Chemical ID:
6754706
Name [?]:
N-[2-(4-benzoyl-2,3-dioxo-5-phenyl-pyrrolidin-1-yl)ethyl]acetamide
SMILES [?]:
CC(=O)NCCN1C(C(C(=O)C1=O)C(=O)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C21H20N2O4/c1-14(24)22-12-13-23-18(15-8-4-2-5-9-15)17(20(26)21(23)27)19(25)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,19,24,26,18,20,23,27,17,21,5,6,2,22,16,9,8,14,10,12,4,7,3,15,11,13/E:(4,5)(6,7)(8,9)(10,11)/rA:27cCCONCCNCCCOCOCOCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s7s10;d12;s9;d14;s14;s16;d17;s18;d19;d16s20;s8;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O4
All Atoms:47
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.51839
Area:574.367
Solvation:-4.84078
Coulombic:-55.4237
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:364.395
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.51
LogP (Chemaxon):2.03

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Descriptor Annotations

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