4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide

C16H31NO2 — CID 107202086

IUPAC4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide
SMILESCN(CCCCCO)C(=O)CCCC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-17(13-6-3-7-14-18)16(19)12-8-11-15-9-4-2-5-10-15/h15,18H,2-14H2,1H3
InChIKeyYARMQFQKQVKOSS-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.36
Rot. Bonds9

About 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide

4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide (PubChem CID 107202086) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide
PubChem CID107202086
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide
SMILESCN(CCCCCO)C(=O)CCCC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-17(13-6-3-7-14-18)16(19)12-8-11-15-9-4-2-5-10-15/h15,18H,2-14H2,1H3
InChIKeyYARMQFQKQVKOSS-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
11-cyclohexylundecan-1-ol
CID 18980516
8-cyclopentyloctan-1-ol
CID 19083491
4-cycloheptylbutan-1-ol
CID 54439965
4-cyclohexyl-N-methylbutanehydrazide
CID 116845177
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
4-cyclopentyl-N-methylbutanehydrazide
CID 116845176
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 115759935
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide?
The IUPAC name of 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide (CID 107202086) is 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide.
What is the SMILES notation for 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide?
The canonical SMILES for 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide is CN(CCCCCO)C(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide?
The InChIKey is YARMQFQKQVKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-17(13-6-3-7-14-18)16(19)12-8-11-15-9-4-2-5-10-15/h15,18H,2-14H2,1H3.
What are the key properties of 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide?
4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(5-hydroxypentyl)-N-methylbutanamide is sourced from PubChem (CID 107202086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).