N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride

C16H33ClN2O3 — CID 154899569

IUPACN-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride
SMILESCCOCCN1C[C@H](NC(=O)C(C)(C)OC)[C@@H](C(C)C)C1.Cl
InChIInChI=1S/C16H32N2O3.ClH/c1-7-21-9-8-18-10-13(12(2)3)14(11-18)17-15(19)16(4,5)20-6;/h12-14H,7-11H2,1-6H3,(H,17,19);1H/t13-,14+;/m1./s1
InChIKeyOPMQNNNGLZOBFG-DFQHDRSWSA-N
MW336.90 g/mol
LogP1.94
Rot. Bonds8

About N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride

N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride (PubChem CID 154899569) has the molecular formula C16H33ClN2O3 and a molecular weight of 336.90 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride
PubChem CID154899569
Molecular FormulaC16H33ClN2O3
Molecular Weight336.90 g/mol
Exact Mass336.22
IUPAC NameN-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride
SMILESCCOCCN1C[C@H](NC(=O)C(C)(C)OC)[C@@H](C(C)C)C1.Cl
InChIInChI=1S/C16H32N2O3.ClH/c1-7-21-9-8-18-10-13(12(2)3)14(11-18)17-15(19)16(4,5)20-6;/h12-14H,7-11H2,1-6H3,(H,17,19);1H/t13-,14+;/m1./s1
InChIKeyOPMQNNNGLZOBFG-DFQHDRSWSA-N
XLogP1.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.90
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 156603401
1-(2-ethoxyethyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567381
3-[(3S,4R)-1-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72920879
N-[(3R,4S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-2-ethoxyacetamide
CID 72916914
methyl 4-(2-ethoxyethyl)morpholine-2-carboxylate
CID 78927291
N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride
CID 154898027
N-(2,2-dicyclopropylethyl)-2-methoxy-2-methylpropanamide
CID 103709266
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704458
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330
3-[(3S,4R)-3-[[5-(hydroxymethyl)furan-2-carbonyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanoic acid
CID 133131321

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride (CID 154899569) is N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride is CCOCCN1C[C@H](NC(=O)C(C)(C)OC)[C@@H](C(C)C)C1.Cl.
What is the InChIKey of N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride?
The InChIKey is OPMQNNNGLZOBFG-DFQHDRSWSA-N. The full InChI is InChI=1S/C16H32N2O3.ClH/c1-7-21-9-8-18-10-13(12(2)3)14(11-18)17-15(19)16(4,5)20-6;/h12-14H,7-11H2,1-6H3,(H,17,19);1H/t13-,14+;/m1./s1.
What are the key properties of N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride?
N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride has a molecular weight of 336.90 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-ethoxyethyl)-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 154899569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).