N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide

C14H27NO3 — CID 111537332

IUPACN-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESCCCCOCCNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H27NO3/c1-2-3-10-18-11-9-15-13(16)12-14(17)7-5-4-6-8-14/h17H,2-12H2,1H3,(H,15,16)
InChIKeyGAHSUKGGPOFKTR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.00
Rot. Bonds8

About N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide

N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111537332) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111537332
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESCCCCOCCNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C14H27NO3/c1-2-3-10-18-11-9-15-13(16)12-14(17)7-5-4-6-8-14/h17H,2-12H2,1H3,(H,15,16)
InChIKeyGAHSUKGGPOFKTR-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[butyl(methyl)amino]ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538536
1-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781
N-(3-cyclohexyloxypropyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430333
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43529686
N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 111464650
N-[2-[[2-(1-hydroxycyclopentyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 111430885
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
N-[(1-ethylcyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111969896

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide (CID 111537332) is N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide is CCCCOCCNC(=O)CC1(O)CCCCC1.
What is the InChIKey of N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is GAHSUKGGPOFKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-10-18-11-9-15-13(16)12-14(17)7-5-4-6-8-14/h17H,2-12H2,1H3,(H,15,16).
What are the key properties of N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide?
N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 257.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111537332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).