Chemical ID: 4567434

CC(C)C(CCN1C(=O)CCC1=O)c2ccc(cc2)OC(C)C
Chemical ID:
4567434
Name [?]:
1-[3-(4-isopropoxyphenyl)-4-methyl-pentyl]pyrrolidine-2,5-dione
SMILES [?]:
CC(C)C(CCN1C(=O)CCC1=O)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C19H27NO3/c1-13(2)17(11-12-20-18(21)9-10-19(20)22)15-5-7-16(8-6-15)23-14(3)4/h5-8,13-14,17H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,22,23,15,19,16,18,10,11,5,6,2,21,14,17,4,8,12,7,9,13,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(18,19)(21,22)/rA:23cCCCCCCNCOCCCOCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s7s11;d12;s4;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.45771
Area:537.52
Solvation:-3.9803
Coulombic:-32.0667
Bond Count [?]
All:24
Single:19
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.423
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):3.16

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Descriptor Annotations

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