2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride

C16H25ClN2O2 — CID 154899204

IUPAC2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride
SMILESCOC(C)(C)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,20-4)15(19)17-14-11-18(3)10-13(14)12-8-6-5-7-9-12;/h5-9,13-14H,10-11H2,1-4H3,(H,17,19);1H/t13-,14+;/m1./s1
InChIKeyFGWGDLFIKRIUSV-DFQHDRSWSA-N
MW312.84 g/mol
LogP2.05
Rot. Bonds4

About 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride

2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride (PubChem CID 154899204) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride
PubChem CID154899204
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride
SMILESCOC(C)(C)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,20-4)15(19)17-14-11-18(3)10-13(14)12-8-6-5-7-9-12;/h5-9,13-14H,10-11H2,1-4H3,(H,17,19);1H/t13-,14+;/m1./s1
InChIKeyFGWGDLFIKRIUSV-DFQHDRSWSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 97249387
[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
CID 144628967
N-ethyl-1-methyl-4-phenylpyrrolidin-3-amine
CID 143055901
N-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-2-(4-nitrophenoxy)acetamide
CID 97249380
2-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635
5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386265
N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride
CID 154898599
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182
N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 124887001
2,2,2-trifluoro-N-[4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 174715188

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride?
The IUPAC name of 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride (CID 154899204) is 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride is COC(C)(C)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1.Cl.
What is the InChIKey of 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride?
The InChIKey is FGWGDLFIKRIUSV-DFQHDRSWSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(2,20-4)15(19)17-14-11-18(3)10-13(14)12-8-6-5-7-9-12;/h5-9,13-14H,10-11H2,1-4H3,(H,17,19);1H/t13-,14+;/m1./s1.
What are the key properties of 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride?
2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 154899204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).