2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide

C12H24N2O3 — CID 83032655

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1CCOC(C)(C)C1
InChIInChI=1S/C12H24N2O3/c1-12(2)8-10(4-6-17-12)14-9-11(15)13-5-7-16-3/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyCMWUFQOJVZJEDS-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.30
Rot. Bonds6

About 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 83032655) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID83032655
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1CCOC(C)(C)C1
InChIInChI=1S/C12H24N2O3/c1-12(2)8-10(4-6-17-12)14-9-11(15)13-5-7-16-3/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyCMWUFQOJVZJEDS-UHFFFAOYSA-N
XLogP0.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.30
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-butyl-2-[(2,2-dimethyloxan-4-yl)amino]acetamide
CID 83033491
N-(2-methoxyethyl)-2-(oxan-3-ylamino)acetamide
CID 63363651
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 115977450
N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 113242883
2-[(2,2-dimethyloxan-4-yl)amino]-N-phenylacetamide
CID 83033070
2-[(3-methoxycyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 104872016
2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
CID 112589376
2-[(2,2-dimethyloxan-4-yl)amino]-N-ethyl-N-methylacetamide
CID 83033158
tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
CID 83032600
N-(2-methoxyethyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471257
N-(2-methoxyethyl)-2-[(2-methylcyclopropyl)amino]acetamide
CID 62396936
N-(2-methoxyethyl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 112700248

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide (CID 83032655) is 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC1CCOC(C)(C)C1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CMWUFQOJVZJEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2)8-10(4-6-17-12)14-9-11(15)13-5-7-16-3/h10,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 244.33 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 83032655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).