N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide

C17H21BrN2O2 — CID 86984192

IUPACN-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C17H21BrN2O2/c1-13(19(2)12-15-9-10-16(18)22-15)17(21)20(3)11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyZWHSGJOQOGEWGN-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.52
Rot. Bonds6

About N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide

N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide (PubChem CID 86984192) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
PubChem CID86984192
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC NameN-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C17H21BrN2O2/c1-13(19(2)12-15-9-10-16(18)22-15)17(21)20(3)11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
InChIKeyZWHSGJOQOGEWGN-UHFFFAOYSA-N
XLogP3.52
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 78870188
(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61165317
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86984213
3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62877834
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
3-amino-4-[(5-bromofuran-2-yl)methyl-methylamino]-4-oxobutanoic acid
CID 64896124
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 7868742
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 7868743
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 78870121
N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide
CID 112818359
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-[2-(N-methylanilino)propyl]urea
CID 87005390

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide (CID 86984192) is N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide is CC(C(=O)N(C)Cc1ccccc1)N(C)Cc1ccc(Br)o1.
What is the InChIKey of N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is ZWHSGJOQOGEWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-13(19(2)12-15-9-10-16(18)22-15)17(21)20(3)11-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide?
N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 365.27 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 86984192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).