N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide

C13H25NO3 — CID 113428949

IUPACN-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C13H25NO3/c1-10-4-5-12(8-11(10)2)14-13(15)9-17-7-6-16-3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyFZLFZKRDRDESAM-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.59
Rot. Bonds6

About N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide

N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 113428949) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide
PubChem CID113428949
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C13H25NO3/c1-10-4-5-12(8-11(10)2)14-13(15)9-17-7-6-16-3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyFZLFZKRDRDESAM-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.59
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-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 103722197
N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide
CID 112752762
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
CID 103719047
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557795
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
CID 105061038
2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272291
N-cyclopropyl-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64732207
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108562763

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide (CID 113428949) is N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is FZLFZKRDRDESAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10-4-5-12(8-11(10)2)14-13(15)9-17-7-6-16-3/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide?
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 113428949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).