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113416-63-0 | Butanamide, N-[2,6-bis(1-methylethyl)phenyl]-
CAS No: 113416-63-0 Catalog No: AG0008HN MDL No:
Product Description
Catalog Number:
AG0008HN
Chemical Name:
Butanamide, N-[2,6-bis(1-methylethyl)phenyl]-
CAS Number:
113416-63-0
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
N-[2,6-di(propan-2-yl)phenyl]butanamide
InChI:
InChI=1S/C16H25NO/c1-6-8-15(18)17-16-13(11(2)3)9-7-10-14(16)12(4)5/h7,9-12H,6,8H2,1-5H3,(H,17,18)
InChI Key:
BKKXEJMGPWEENV-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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