2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide

C13H25NO3 — CID 86838704

IUPAC2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
SMILESCCOCCOCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H25NO3/c1-3-16-8-9-17-10-13(15)14-12-6-4-11(2)5-7-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyXXQWINDDZHSRRA-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds7

About 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide

2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide (PubChem CID 86838704) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
PubChem CID86838704
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
SMILESCCOCCOCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H25NO3/c1-3-16-8-9-17-10-13(15)14-12-6-4-11(2)5-7-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyXXQWINDDZHSRRA-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorocyclohexyl)-2-ethoxyacetamide
CID 114297048
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 113428949
N-(1-cyclopropylpiperidin-4-yl)-2-ethoxyacetamide
CID 60730874
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
2-pentoxy-N-(thietan-3-yl)acetamide
CID 126832129
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
CID 103719047
ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47030916

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide (CID 86838704) is 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide is CCOCCOCC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is XXQWINDDZHSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-16-8-9-17-10-13(15)14-12-6-4-11(2)5-7-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide?
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 86838704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).