1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone

C14H21NO2 — CID 55005039

IUPAC1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
SMILESCC1CCCCC1N(C)CC(=O)c1ccco1
InChIInChI=1S/C14H21NO2/c1-11-6-3-4-7-12(11)15(2)10-13(16)14-8-5-9-17-14/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyJPYUOGDLOPDLPH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.97
Rot. Bonds4

About 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone

1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone (PubChem CID 55005039) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
PubChem CID55005039
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
SMILESCC1CCCCC1N(C)CC(=O)c1ccco1
InChIInChI=1S/C14H21NO2/c1-11-6-3-4-7-12(11)15(2)10-13(16)14-8-5-9-17-14/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyJPYUOGDLOPDLPH-UHFFFAOYSA-N
XLogP2.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 42951861
2-[cyclopentyl(ethyl)amino]-1-(furan-2-yl)ethanone
CID 43796327
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
CID 43227354
1-(2-fluorophenyl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone
CID 55005236
1-(furan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892744
1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008571
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
N-[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 104957500
1-cyclopropyl-3-(furan-2-yl)propane-1,3-dione
CID 43138918
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102960348
3-methyl-4-[methyl-(2-methylcyclohexyl)amino]but-2-enoic acid
CID 77005838
2-(cyclopentylmethylsulfinyl)-1-(furan-2-yl)ethanone
CID 64639589

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone (CID 55005039) is 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone is CC1CCCCC1N(C)CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
The InChIKey is JPYUOGDLOPDLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-6-3-4-7-12(11)15(2)10-13(16)14-8-5-9-17-14/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone?
1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[methyl-(2-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 55005039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).