4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide

C17H31NO2 — CID 115759935

IUPAC4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
SMILESCN(CC1(O)CCCC1)C(=O)CCCC1CCCCC1
InChIInChI=1S/C17H31NO2/c1-18(14-17(20)12-5-6-13-17)16(19)11-7-10-15-8-3-2-4-9-15/h15,20H,2-14H2,1H3
InChIKeyZDWAIOSULUBUKD-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.50
Rot. Bonds6

About 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide

4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide (PubChem CID 115759935) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
PubChem CID115759935
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
SMILESCN(CC1(O)CCCC1)C(=O)CCCC1CCCCC1
InChIInChI=1S/C17H31NO2/c1-18(14-17(20)12-5-6-13-17)16(19)11-7-10-15-8-3-2-4-9-15/h15,20H,2-14H2,1H3
InChIKeyZDWAIOSULUBUKD-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
CID 114953852
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-piperidin-3-ylpropanamide
CID 114948870
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107202086
4-cyclopentyl-N-methylbutanehydrazide
CID 116845176
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 115760608
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-piperidin-4-ylacetamide
CID 114948933
N-butan-2-yl-4-cyclohexyl-N-methylbutanamide
CID 112817760
4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 54993673
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide
CID 114949066

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide (CID 115759935) is 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide is CN(CC1(O)CCCC1)C(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide?
The InChIKey is ZDWAIOSULUBUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-18(14-17(20)12-5-6-13-17)16(19)11-7-10-15-8-3-2-4-9-15/h15,20H,2-14H2,1H3.
What are the key properties of 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide?
4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide has a molecular weight of 281.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 115759935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).