2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide

C11H22N2O4 — CID 81130287

IUPAC2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C11H22N2O4/c1-16-7-4-13-10(14)8-12-9-11(15)2-5-17-6-3-11/h12,15H,2-9H2,1H3,(H,13,14)
InChIKeyRSOZCQZGEVYPIQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.12
Rot. Bonds7

About 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 81130287) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID81130287
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C11H22N2O4/c1-16-7-4-13-10(14)8-12-9-11(15)2-5-17-6-3-11/h12,15H,2-9H2,1H3,(H,13,14)
InChIKeyRSOZCQZGEVYPIQ-UHFFFAOYSA-N
XLogP-1.12
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 65120955
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79290845
2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81130797
N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81131141
2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide
CID 81130965
2-(2-methoxyethylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119724840
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
CID 119852507
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 81130530

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide (CID 81130287) is 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is RSOZCQZGEVYPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-16-7-4-13-10(14)8-12-9-11(15)2-5-17-6-3-11/h12,15H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 246.31 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 81130287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).