N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide

C16H30N2O2 — CID 99840195

IUPACN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCCOCCC1(CNC(=O)N2CCCC2(C)C)CCC1
InChIInChI=1S/C16H30N2O2/c1-4-20-12-10-16(8-5-9-16)13-17-14(19)18-11-6-7-15(18,2)3/h4-13H2,1-3H3,(H,17,19)
InChIKeyMEWXNEVBBMLLRT-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.17
Rot. Bonds6

About N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide

N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 99840195) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
PubChem CID99840195
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
SMILESCCOCCC1(CNC(=O)N2CCCC2(C)C)CCC1
InChIInChI=1S/C16H30N2O2/c1-4-20-12-10-16(8-5-9-16)13-17-14(19)18-11-6-7-15(18,2)3/h4-13H2,1-3H3,(H,17,19)
InChIKeyMEWXNEVBBMLLRT-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide (CID 99840195) is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide is CCOCCC1(CNC(=O)N2CCCC2(C)C)CCC1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is MEWXNEVBBMLLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-12-10-16(8-5-9-16)13-17-14(19)18-11-6-7-15(18,2)3/h4-13H2,1-3H3,(H,17,19).
What are the key properties of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide?
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 99840195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).