Chemical ID: 6595702

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N2CCCC2
Chemical ID:
6595702
Name [?]:
pyrrolidin-1-ylcarbonylmethyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N2CCCC2
InChi [?]:
InChI=1/C15H18N2O4/c1-11(18)16-13-6-4-12(5-7-13)15(20)21-10-14(19)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,7,9,6,10,18,21,14,2,8,5,15,11,4,17,3,16,12,13/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCONCCCCCCCOOCCONCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.49026
Area:510.039
Solvation:-4.26072
Coulombic:-54.7715
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:290.315
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.03
LogP (Chemaxon):0.42

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