1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone

C14H21NO2 — CID 104750523

IUPAC1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)C1CCCCC1)Cc1ccoc1
InChIInChI=1S/C14H21NO2/c1-15(9-12-7-8-17-11-12)10-14(16)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyKVECXQKZKDUJIJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.86
Rot. Bonds5

About 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone

1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone (PubChem CID 104750523) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone
PubChem CID104750523
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)C1CCCCC1)Cc1ccoc1
InChIInChI=1S/C14H21NO2/c1-15(9-12-7-8-17-11-12)10-14(16)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyKVECXQKZKDUJIJ-UHFFFAOYSA-N
XLogP2.86
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-N-(furan-3-ylmethyl)acetamide
CID 71929849
1-(cyclopentylcarbonyl)-N-(3-furylmethyl)-N-methyl-4-piperidinecarboxamide
CID 72901888
4-Fluoro-1-(furan-3-ylmethyl)-4-methylpiperidine
CID 123305771
1-(3-Fluorophenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62034993
1-(2,4-Difluorophenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62034995
1-(4-Fluorophenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62035567
1-(2-Fluorophenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62035569
1-(2,5-Difluorophenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62035764
1-(4-Fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanone
CID 62036223
1-(2-Fluorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-2-one
CID 62036343
1-(4-Fluorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-2-one
CID 62036535
1-(4-Fluorophenyl)-2-[furan-3-ylmethyl(methyl)amino]propan-1-one
CID 62036922

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone (CID 104750523) is 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone is CN(CC(=O)C1CCCCC1)Cc1ccoc1.
What is the InChIKey of 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone?
The InChIKey is KVECXQKZKDUJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(9-12-7-8-17-11-12)10-14(16)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone?
1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 104750523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).