N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide

C12H24N2O2 — CID 102779702

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1NCCC1C
InChIInChI=1S/C12H24N2O2/c1-5-14(8-12(3,4)16)11(15)10-9(2)6-7-13-10/h9-10,13,16H,5-8H2,1-4H3
InChIKeyZJKUKHFTUQLUHO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779702) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779702
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1NCCC1C
InChIInChI=1S/C12H24N2O2/c1-5-14(8-12(3,4)16)11(15)10-9(2)6-7-13-10/h9-10,13,16H,5-8H2,1-4H3
InChIKeyZJKUKHFTUQLUHO-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102777244
N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 102779892
N-ethyl-N-(2-methoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779207
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778482
N-[2-(dimethylamino)ethyl]-3-methyl-N-propylpyrrolidine-2-carboxamide
CID 102779290
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779936
N-ethyl-N-(2-hydroxy-2-methylpropyl)azetidine-3-carboxamide
CID 79379562
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 79387282
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide
CID 79385894
N-(3,3-dimethylbutan-2-yl)-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778623
N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761925
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylpyrrolidine-2-carboxamide
CID 103188683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide (CID 102779702) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide is CCN(CC(C)(C)O)C(=O)C1NCCC1C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is ZJKUKHFTUQLUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14(8-12(3,4)16)11(15)10-9(2)6-7-13-10/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).