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1303655-71-1 | N-(heptan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CAS No: 1303655-71-1 Catalog No: AG019SSN MDL No:MFCD20502235
Product Description
Catalog Number:
AG019SSN
Chemical Name:
N-(heptan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CAS Number:
1303655-71-1
Molecular Formula:
C18H28N2O
Molecular Weight:
288.4277
MDL Number:
MFCD20502235
IUPAC Name:
N-heptan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
InChI:
InChI=1S/C18H28N2O/c1-4-5-6-9-13(2)20-18(21)16-12-14(3)19-17-11-8-7-10-15(16)17/h7-8,10-11,13-14,16,19H,4-6,9,12H2,1-3H3,(H,20,21)
InChI Key:
CVIOQQALQYDSBD-UHFFFAOYSA-N
SMILES:
CCCCCC(NC(=O)C1CC(C)Nc2c1cccc2)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.22g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.435g/mol
Monoisotopic Mass:
288.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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