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20627-24-1 | Acetamide, 2-[bis(3-methylbutyl)amino]-N-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS No: 20627-24-1 Catalog No: AG002IE6 MDL No:
Product Description
Catalog Number:
AG002IE6
Chemical Name:
Acetamide, 2-[bis(3-methylbutyl)amino]-N-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
20627-24-1
Molecular Formula:
C18H33N3O
Molecular Weight:
307.4741
IUPAC Name:
2-[bis(3-methylbutyl)amino]-N-(2,5-dimethylpyrrol-1-yl)acetamide
InChI:
InChI=1S/C18H33N3O/c1-14(2)9-11-20(12-10-15(3)4)13-18(22)19-21-16(5)7-8-17(21)6/h7-8,14-15H,9-13H2,1-6H3,(H,19,22)
InChI Key:
OYFWSORRBDVNKU-UHFFFAOYSA-N
SMILES:
CC(CCN(CC(=O)Nn1c(C)ccc1C)CCC(C)C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.262g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.482g/mol
Monoisotopic Mass:
307.262g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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