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83859-72-7 | Butanamide, N-(1,1-dimethylethyl)-2-[(4-methylbenzoyl)oxy]-
CAS No: 83859-72-7 Catalog No: AG004VVZ MDL No:
Product Description
Catalog Number:
AG004VVZ
Chemical Name:
Butanamide, N-(1,1-dimethylethyl)-2-[(4-methylbenzoyl)oxy]-
CAS Number:
83859-72-7
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
[1-(tert-butylamino)-1-oxobutan-2-yl] 4-methylbenzoate
InChI:
InChI=1S/C16H23NO3/c1-6-13(14(18)17-16(3,4)5)20-15(19)12-9-7-11(2)8-10-12/h7-10,13H,6H2,1-5H3,(H,17,18)
InChI Key:
BVXMOKMBUPXOJY-UHFFFAOYSA-N
SMILES:
CCC(C(=O)NC(C)(C)C)OC(=O)c1ccc(cc1)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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