N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide

C11H21FN2O2 — CID 168957805

IUPACN-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
SMILESCCNC(=O)C(C)C(OC)C1CCCN1F
InChIInChI=1S/C11H21FN2O2/c1-4-13-11(15)8(2)10(16-3)9-6-5-7-14(9)12/h8-10H,4-7H2,1-3H3,(H,13,15)
InChIKeyHYQVNPYWFLAPQP-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.12
Rot. Bonds5

About N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide

N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide (PubChem CID 168957805) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
PubChem CID168957805
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC NameN-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
SMILESCCNC(=O)C(C)C(OC)C1CCCN1F
InChIInChI=1S/C11H21FN2O2/c1-4-13-11(15)8(2)10(16-3)9-6-5-7-14(9)12/h8-10H,4-7H2,1-3H3,(H,13,15)
InChIKeyHYQVNPYWFLAPQP-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

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
[(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
(4RS,5RS)-4-Butyryloxy-5-isobutylpyrrolidin-2-one
CID 18963415
(4R,5S)-5-[(2S)-butan-2-yl]-4-methoxypyrrolidin-2-one
CID 57082702
(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 58114237
(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)
CID 58114239
[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl]amino]methyl-methyl-methylideneazanium
CID 59064269
(2R,3R)-N-[(dimethylamino)methyl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 59064270
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide
CID 59885090

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide?
The IUPAC name of N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide (CID 168957805) is N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide is CCNC(=O)C(C)C(OC)C1CCCN1F.
What is the InChIKey of N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide?
The InChIKey is HYQVNPYWFLAPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-4-13-11(15)8(2)10(16-3)9-6-5-7-14(9)12/h8-10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide?
N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide has a molecular weight of 232.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 168957805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).