2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide

C12H24N2O2 — CID 47006248

IUPAC2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(11-6-4-3-5-7-11)10-12(15)13-8-9-16-2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyQLCFQUFVMQEMFA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide

2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 47006248) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID47006248
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-14(11-6-4-3-5-7-11)10-12(15)13-8-9-16-2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyQLCFQUFVMQEMFA-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide (CID 47006248) is 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is QLCFQUFVMQEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(11-6-4-3-5-7-11)10-12(15)13-8-9-16-2/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 47006248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).