Chemical ID: 6602575

CCCC(C)C(=O)OCC(=O)Nc1cc(cc(c1)C)C
Chemical ID:
6602575
Name [?]:
(3,5-dimethylphenyl)carbamoylmethyl 2-methylpentanoate
SMILES [?]:
CCCC(C)C(=O)OCC(=O)Nc1cc(cc(c1)C)C
InChi [?]:
InChI=1/C16H23NO3/c1-5-6-13(4)16(19)20-10-15(18)17-14-8-11(2)7-12(3)9-14/h7-9,13H,5-6,10H2,1-4H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,5,2,3,16,18,14,9,17,15,4,13,10,6,12,11,7,8/E:(2,3)(8,9)(11,12)/rA:20cCCCCCCOOCCONCCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.73165
Area:517.012
Solvation:-3.19365
Coulombic:-39.7823
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:277.359
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.54
LogP (Chemaxon):3.86

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