3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide

C12H24N2O2 — CID 123738468

IUPAC3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide
SMILESCOC(C1CCCN1)C(C)C(=O)NC(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)14-12(15)9(3)11(16-4)10-6-5-7-13-10/h8-11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyJIFSFXIJCSWKET-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.91
Rot. Bonds5

About 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide

3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide (PubChem CID 123738468) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide
PubChem CID123738468
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide
SMILESCOC(C1CCCN1)C(C)C(=O)NC(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)14-12(15)9(3)11(16-4)10-6-5-7-13-10/h8-11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyJIFSFXIJCSWKET-UHFFFAOYSA-N
XLogP0.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 168957805
3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
CID 145135171
N-(2-fluoroethyl)-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 172288767
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 11780641
[(2R,3R)-2-(2-methylpropyl)-5-oxopyrrolidin-3-yl] butanoate
CID 101649070
(4S,5S)-4-Butyryloxy-5-isobutylpyrrolidin-2-one
CID 11020616
(4S-cis)-4-hydroxy-5-(2-methylpropyl)-2-pyrrolidinone
CID 11768826
4-amino-3-hydroxy-6-methyl-N(2-methylbutyl)-heptanamide
CID 15594038
(3S,4S)-4-amino-3-hydroxy-6-methyl-N-(2-methylbutyl)heptanamide
CID 18610396
(4RS,5RS)-4-Butyryloxy-5-isobutylpyrrolidin-2-one
CID 18963415
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(4S)-3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 54072508
(4R,5S)-5-[(2S)-butan-2-yl]-4-methoxypyrrolidin-2-one
CID 57082702

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide?
The IUPAC name of 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide (CID 123738468) is 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide?
The canonical SMILES for 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide is COC(C1CCCN1)C(C)C(=O)NC(C)C.
What is the InChIKey of 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide?
The InChIKey is JIFSFXIJCSWKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)14-12(15)9(3)11(16-4)10-6-5-7-13-10/h8-11,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide?
3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-propan-2-yl-3-pyrrolidin-2-ylpropanamide is sourced from PubChem (CID 123738468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).