N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide

C12H23NO4 — CID 114825656

IUPACN-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
SMILESCCOC(CNC(=O)C1COC(C)C1)OCC
InChIInChI=1S/C12H23NO4/c1-4-15-11(16-5-2)7-13-12(14)10-6-9(3)17-8-10/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyLVSHNXDUCHWXTM-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.93
Rot. Bonds7

About N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide

N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide (PubChem CID 114825656) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
PubChem CID114825656
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
SMILESCCOC(CNC(=O)C1COC(C)C1)OCC
InChIInChI=1S/C12H23NO4/c1-4-15-11(16-5-2)7-13-12(14)10-6-9(3)17-8-10/h9-11H,4-8H2,1-3H3,(H,13,14)
InChIKeyLVSHNXDUCHWXTM-UHFFFAOYSA-N
XLogP0.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(oxolan-2-ylmethyl)-1,3-dioxane-5-carboxamide
CID 141007836
N-(2,2-dimethoxyethyl)oxolane-3-carboxamide
CID 62967678
N-(1,1-dimethoxypropan-2-yl)oxolane-3-carboxamide
CID 64387025
N-(2,2-dimethoxyethyl)-2-(oxolan-2-yl)acetamide
CID 65155259
N-(2,2-dimethoxyethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155260
N-(1,1-dimethoxypropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155312
N-[2-(2-aminoethoxy)ethyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65159703
N-(2,2-diethoxyethyl)-2-(oxolan-2-yl)acetamide
CID 79547184
N-(2,2-diethoxyethyl)oxolane-3-carboxamide
CID 79547984
N-(2,2-diethoxyethyl)oxane-3-carboxamide
CID 79548248
N-(2,2-diethoxyethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 79548506
N-(2,2-dimethoxyethyl)-2-methyloxolane-3-carboxamide
CID 79757752

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide (CID 114825656) is N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide is CCOC(CNC(=O)C1COC(C)C1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide?
The InChIKey is LVSHNXDUCHWXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-4-15-11(16-5-2)7-13-12(14)10-6-9(3)17-8-10/h9-11H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide?
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114825656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).