4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide

C12H24N2O2 — CID 114793829

IUPAC4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
SMILESCOCC(C)CC(=O)NCCC1CCCN1
InChIInChI=1S/C12H24N2O2/c1-10(9-16-2)8-12(15)14-7-5-11-4-3-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyGPJCIHJSPILKRM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds7

About 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide

4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide (PubChem CID 114793829) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
PubChem CID114793829
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
SMILESCOCC(C)CC(=O)NCCC1CCCN1
InChIInChI=1S/C12H24N2O2/c1-10(9-16-2)8-12(15)14-7-5-11-4-3-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyGPJCIHJSPILKRM-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 106247356
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide
CID 24697478

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide (CID 114793829) is 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide is COCC(C)CC(=O)NCCC1CCCN1.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide?
The InChIKey is GPJCIHJSPILKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(9-16-2)8-12(15)14-7-5-11-4-3-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide?
4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide is sourced from PubChem (CID 114793829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).