N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide

C15H28N2O5 — CID 68621158

IUPACN-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide
SMILESCOCCOCCN1C[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1CNC(C)=O
InChIInChI=1S/C15H28N2O5/c1-11(18)16-9-12-14-13(21-15(2,3)22-14)10-17(12)5-6-20-8-7-19-4/h12-14H,5-10H2,1-4H3,(H,16,18)/t12-,13-,14+/m0/s1
InChIKeySTRXKCPXPNJXCK-MELADBBJSA-N
MW316.40 g/mol
LogP-0.01
Rot. Bonds8

About N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide

N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide (PubChem CID 68621158) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide
PubChem CID68621158
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC NameN-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide
SMILESCOCCOCCN1C[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1CNC(C)=O
InChIInChI=1S/C15H28N2O5/c1-11(18)16-9-12-14-13(21-15(2,3)22-14)10-17(12)5-6-20-8-7-19-4/h12-14H,5-10H2,1-4H3,(H,16,18)/t12-,13-,14+/m0/s1
InChIKeySTRXKCPXPNJXCK-MELADBBJSA-N
XLogP-0.01
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide (CID 68621158) is N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide is COCCOCCN1C[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1CNC(C)=O.
What is the InChIKey of N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide?
The InChIKey is STRXKCPXPNJXCK-MELADBBJSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-11(18)16-9-12-14-13(21-15(2,3)22-14)10-17(12)5-6-20-8-7-19-4/h12-14H,5-10H2,1-4H3,(H,16,18)/t12-,13-,14+/m0/s1.
What are the key properties of N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide?
N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide has a molecular weight of 316.40 g/mol, XLogP of -0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide is sourced from PubChem (CID 68621158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).