2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide

C16H25BrN2O2 — CID 78870121

IUPAC2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C16H25BrN2O2/c1-12(19(2)11-14-8-9-15(17)21-14)16(20)18-10-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,20)
InChIKeyQZVCMUABQFVRGR-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.56
Rot. Bonds6

About 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide

2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide (PubChem CID 78870121) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
PubChem CID78870121
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C16H25BrN2O2/c1-12(19(2)11-14-8-9-15(17)21-14)16(20)18-10-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,20)
InChIKeyQZVCMUABQFVRGR-UHFFFAOYSA-N
XLogP3.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86984213
N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
CID 86984192
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462618
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 86984191
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952646
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 78870188

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide (CID 78870121) is 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide is CC(C(=O)NCC1CCCCC1)N(C)Cc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The InChIKey is QZVCMUABQFVRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-12(19(2)11-14-8-9-15(17)21-14)16(20)18-10-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide has a molecular weight of 357.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 78870121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).