N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide

C14H27NO4 — CID 65121473

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCCC1CCC(O)(CNC(=O)COCCOC)CC1
InChIInChI=1S/C14H27NO4/c1-3-12-4-6-14(17,7-5-12)11-15-13(16)10-19-9-8-18-2/h12,17H,3-11H2,1-2H3,(H,15,16)
InChIKeyYXIREWSTUWVILR-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.10
Rot. Bonds8

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 65121473) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
PubChem CID65121473
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCCC1CCC(O)(CNC(=O)COCCOC)CC1
InChIInChI=1S/C14H27NO4/c1-3-12-4-6-14(17,7-5-12)11-15-13(16)10-19-9-8-18-2/h12,17H,3-11H2,1-2H3,(H,15,16)
InChIKeyYXIREWSTUWVILR-UHFFFAOYSA-N
XLogP1.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209082
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209085
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209090
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111112881
N-[(4-ethylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 53554637
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 60298673
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-cyclopentyloxyacetamide
CID 60298736
2-[2-[(4-Ethylcyclohexyl)methylamino]-2-oxoethoxy]acetic acid
CID 61327888
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 64196184
2-[2-[2-(4-Methylcyclohexyl)ethylamino]-2-oxoethoxy]acetic acid
CID 64228814
N-[(1-hydroxycycloheptyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 64459714
2-ethoxy-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 64459719

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide (CID 65121473) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide is CCC1CCC(O)(CNC(=O)COCCOC)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is YXIREWSTUWVILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-12-4-6-14(17,7-5-12)11-15-13(16)10-19-9-8-18-2/h12,17H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 273.37 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 65121473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).